SCHEMBL3227656

SCHEMBL3227656

NC(=O)c1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 5/20 0.61
KDM4E B2RXH2 1/20 0.61
TSHR P16473 3/20 0.59
RECQL P46063 1/20 0.59
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
ERN1 O75460 1/20 0.53

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
SCHEMBL10720509 0.92 L3MBTL1 (0.71) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL14786240 0.88 ALDH1A1 (0.62) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL28294867 0.87 HPGD (0.71) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL14508043 0.86 HPGD (0.71) MEN1KMT2AL3MBTL1HPGDTSHR
SCHEMBL1199986 0.85 L3MBTL1 (0.64) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL30577960 0.85 L3MBTL1 (0.64) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL367502 0.85 HPGD (0.65) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL30568869 0.84 L3MBTL1 (0.62) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL520393 0.84 L3MBTL1 (0.62) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL3076585 0.84 TSHR (0.67) MEN1KMT2AL3MBTL1HPGDKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
EP-2188289-A2 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2010-05-26 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
WO-2009021169-A2 (7H-PYRR0L0 [2, 3-D] PYRIMIDIN-4-YL) -PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION LEXICON PHARMACEUTICALS, INC. (US) 2009-02-12 WO claimed
CN-116655595-A 2, 6-piperidinedione derivatives, their preparation and use 中国人民解放军军事科学院军事医学研究院 2023-08-29 CN disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2188289-B1 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION LEXICON PHARMACEUTICALS INC (US) 2015-10-28 EP disclosed
EP-2597098-A1 (7H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) -PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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 (1 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 MEN1 2881/4885KMT2A 2799/4885L3MBTL1 2077/4885

“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.