SCHEMBL3221585

SCHEMBL3221585

O=C1CCCCC(NC(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
EPHX1 P07099 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3485253 0.94 THRB (0.46) THRBSMN1; SMN2LMNAKDM4EGAA
SCHEMBL23881931 0.94 THRB (0.46) THRBSMN1; SMN2LMNAKDM4EGAA
SCHEMBL5091076 0.86 MTNR1A (0.37) THRBCYP3A4
SCHEMBL5006986 0.86 MTNR1A (0.37) THRBCYP3A4
SCHEMBL5089466 0.86 MTNR1A (0.37) THRBCYP3A4
SCHEMBL3214409 0.78 KDM4E (0.41) THRBSMN1; SMN2KDM4EGAAEPHX1
SCHEMBL11275440 0.77 MTNR1A (0.49) THRBKDM4EGAAEPHX1ALDH1A1
SCHEMBL2634531 0.77
SCHEMBL13735251 0.76 BTK (0.54) THRBGAAEPHX1EPHX2KMT2A
SCHEMBL24874466 0.76 BTK (0.54) THRBGAAEPHX1EPHX2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 US disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 US disclosed
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-04-22 US disclosed
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-02-16 US disclosed
US-10421760-B2 Pyrrolo[2,3-d]pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-09-24 US disclosed
US-20190194144-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2019-06-27 US disclosed
US-10266500-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2019-04-23 US disclosed
US-20180305322-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2018-10-25 US disclosed
EP-3330271-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-06-06 EP disclosed
US-20170267647-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-09-21 US disclosed
US-9701643-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-07-11 US disclosed
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-26 US disclosed
US-9139534-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-09-22 US disclosed
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 EP disclosed
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 US disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 WO disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10421760-B2 Pyrrolo[2,3-d]pyrimidine compound or salt thereof JAK3, IFNG, STAT1 THRB 3999/4885SMN1; SMN2 3955/4885LMNA 4873/4885
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-20190194144-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-20180305322-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B THRB 613/4885SMN1; SMN2 4204/4885LMNA 3151/4885
US-10266500-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-20170267647-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 THRB 1955/4885SMN1; SMN2 3353/4885LMNA 1545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.