SCHEMBL1750424

SCHEMBL1750424

O=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1C=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CCND3 P30281 1/20 0.43
MAPK14 Q16539 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 1/20 0.40
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 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
SCHEMBL1750422 1.00 CHEK1 (0.43) CHEK1CDK1CDK2CDK4CCNA2
SCHEMBL1749978 0.85 MAPK14 (0.40) MAPK14MAPTKDM4ERECQLTDP1
SCHEMBL1749767 0.82 MAPK14 (0.45) MAPK14CDK5CDK5R1MAPK1CNR1
SCHEMBL1751404 0.81 CDK5 (0.51) MAPK14MAPTKDM4ECDK5CDK5R1
SCHEMBL1750182 0.79 MAPK14 (0.43) MAPK14CDK5CDK5R1MAPK1CNR1
SCHEMBL3428018 0.79 MAPK14 (0.47) MAPK14MAPTCDK5CDK5R1MAPK1
SCHEMBL1750393 0.79 CDK5 (0.49) CHEK1MAPK14CDK5CDK5R1CSF1R
SCHEMBL1751061 0.79 MAPK14 (0.43) CDK1MAPK14MAPTCDK5CDK5R1
SCHEMBL12529738 0.79 MAPK14 (0.43) MAPK14MAPTCDK5CDK5R1MAPK1
SCHEMBL3425574 0.78 GSK3B (0.46) MAPK14MAPTKDM4ECDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US claimed
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
CN-1972930-A Novel pyridazinone derivatives as inhibitors of CDK2 AVENTIS PHARMA SA (FR) 2007-05-30 CN 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 CHEK1 242/4885CDK1 15/4885CDK2 40/4885
US-20090130209-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 CHEK1 61/4885CDK1 2/4885CDK2 1/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 CHEK1 61/4885CDK1 2/4885CDK2 1/4885

“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.