SCHEMBL3199998

SCHEMBL3199998

CNC(=O)[C@H]1CC[C@H](NC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
PDE7A Q13946 1/20 0.39
HPGDS O60760 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL3200008 1.00 POLB (0.44) POLBPDE7AHPGDSCHRNB2CHRNA4
SCHEMBL5660203 0.90 CHRNB2 (0.41) POLBPDE7AHPGDSCHRNB2CHRNA4
SCHEMBL5657066 0.90 CHRNB2 (0.41) POLBPDE7AHPGDSCHRNB2CHRNA4
SCHEMBL3196038 0.85 POLB (0.59) POLBALDH1A1EPHX2MAPK1LMNA
SCHEMBL3196032 0.85 POLB (0.59) POLBALDH1A1EPHX2MAPK1LMNA
SCHEMBL23573569 0.85 POLB (0.59) POLBALDH1A1EPHX2MAPK1LMNA
SCHEMBL23573567 0.85 POLB (0.59) POLBALDH1A1EPHX2MAPK1LMNA
SCHEMBL24512444 0.83 POLB (0.44) POLBPDE7AHPGDSCHRNB2CHRNA4
SCHEMBL103880 0.82
SCHEMBL5909567 0.82 CHRNB2 (0.50) POLBCHRNB2CHRNA4CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US claimed
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-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 US 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-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
EP-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 EP disclosed
EP-2922840-B1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2917206-B1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-3089973-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS Bristol-Myers Squibb Company (US) 2016-11-09 EP 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-9169252-B2 Heteroaryl substituted nicotinamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
WO-2015103453-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 US disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO 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 (10 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-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 POLB 3912/4885PDE7A 881/4885HPGDS 3796/4885
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B POLB 2715/4885PDE7A 2233/4885HPGDS 299/4885
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 POLB 1427/4885PDE7A 3429/4885HPGDS 1092/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 POLB 1427/4885PDE7A 3429/4885HPGDS 1092/4885
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 POLB 1427/4885PDE7A 3429/4885HPGDS 1092/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 POLB 2713/4885PDE7A 1023/4885HPGDS 752/4885
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 POLB 1427/4885PDE7A 3429/4885HPGDS 1092/4885
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B POLB 2715/4885PDE7A 2233/4885HPGDS 299/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 POLB 1427/4885PDE7A 3429/4885HPGDS 1092/4885
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 POLB 1427/4885PDE7A 3429/4885HPGDS 1092/4885

“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.