SCHEMBL1750123

SCHEMBL1750123

COc1nnc(-c2ccncc2)cc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.49
CYP46A1 Q9Y6A2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
TACR3 P29371 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL1751290 0.78 CA1 (0.37) CASP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL10834260 0.76 SQOR (0.46) CASP1CYP46A1CDC7CCNE1CDK2
SCHEMBL20798619 0.75 MEN1 (0.42) CYP46A1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL1749908 0.74 AURKA (0.41) CASP1CDC7CCNE1CDK2DBF4
SCHEMBL1751970 0.73 SQOR (0.38) CASP1CYP46A1CDC7CCNE1CDK2
SCHEMBL25863824 0.72 SMN1; SMN2 (0.41) CYP3A4ALDH1A1GAA
SCHEMBL1750237 0.70 ALDH1A1 (0.46) CASP1CYP3A4KMT2AALDH1A1
SCHEMBL25863834 0.68 ALDH1A1 (0.38) CYP3A4MEN1KMT2AALDH1A1GAA
SCHEMBL24833998 0.68 HTT (0.37) CYP3A4ALDH1A1GAA
SCHEMBL5899769 0.68 CASP1 (0.54) CASP1CYP3A4CDC7DBF4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7968546-B2 Pyridazinone kinase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20090130209-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2009-05-21 US disclosed
US-7507734-B2 Pyridazinone derivatives AVENTIS PHARMA S.A. (FR) 2009-03-24 US disclosed
US-20070259870-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
EP-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
EP-1751141-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 Aventis Pharma S.A. (FR) 2007-02-14 EP disclosed
EP-1604988-A1 Pyridazinone derivatives, methods for producing them and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2005-12-14 EP disclosed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 WO disclosed
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO disclosed
EP-1598348-A1 Novel pyridazinone derivatives as inhibitors of CDK2 Aventis Pharma Deutschland GmbH (DE) 2005-11-23 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 (3 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK CASP1 1726/4885CYP46A1 1473/4885CYP3A4 215/4885
US-20090130209-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 CASP1 1847/4885CYP46A1 3872/4885CYP3A4 816/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 CASP1 1847/4885CYP46A1 3872/4885CYP3A4 816/4885

“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.