SCHEMBL434040

SCHEMBL434040

Cc1ccc2c(c1)CN(C)C(=O)N2

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.68
CREBBP Q92793 2/20 0.61
BRD2 P25440 1/20 0.55
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL20889281 0.87 BRD4 (0.60) BRD4CREBBPBRD2CDK5CDK5R1
SCHEMBL13090753 0.86 BRD4 (0.61) BRD4CREBBPBRD2ALDH1A1HPGD
SCHEMBL3593649 0.81 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL30100744 0.81 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL3593647 0.81 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL19957378 0.81 BRD4 (0.45) BRD4CREBBPBRD2CDK5CDK5R1
SCHEMBL1771061 0.81 BRD4 (1.00) BRD4CREBBPBRD2
SCHEMBL20160389 0.81 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL8134588 0.81 BRD4 (0.66) BRD4CREBBPBRD2CDK5CDK5R1
SCHEMBL2054633 0.78 BRD4 (0.62) BRD4CREBBPBRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-05-19 US disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-04-25 US disclosed
WO-2019070943-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 WO disclosed
EP-3293177-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-14 EP disclosed
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 WO disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 WO disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (6 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-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ABL1, LCK, ERBB2 BRD4 1722/4885CREBBP 3733/4885BRD2 2060/4885
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same ABL1, LCK, ERBB2 BRD4 1722/4885CREBBP 3733/4885BRD2 2060/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 BRD4 2700/4885CREBBP 318/4885BRD2 3606/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 BRD4 140/4885CREBBP 336/4885BRD2 324/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 BRD4 140/4885CREBBP 336/4885BRD2 324/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH BRD4 700/4885CREBBP 536/4885BRD2 1279/4885

“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.