SCHEMBL1749767

SCHEMBL1749767

O=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.45
CDK5 Q00535 5/20 0.41
CDK5R1 Q15078 5/20 0.41
IMPDH2 P12268 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 2/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39

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
SCHEMBL1750182 0.85 MAPK14 (0.43) MAPK14CDK5CDK5R1IMPDH2MAPK1
SCHEMBL3428018 0.85 MAPK14 (0.47) MAPK14CDK5CDK5R1IMPDH2MAPK1
SCHEMBL1751061 0.85 MAPK14 (0.43) MAPK14CDK5CDK5R1IMPDH2MAPK1
SCHEMBL12529738 0.85 MAPK14 (0.43) MAPK14CDK5CDK5R1IMPDH2MAPK1
SCHEMBL1750393 0.85 CDK5 (0.49) MAPK14CDK5CDK5R1IMPDH2TUBB4A
SCHEMBL1751404 0.84 CDK5 (0.51) MAPK14CDK5CDK5R1IMPDH2MAPK1
SCHEMBL3425508 0.82 FLT3 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1750744 0.82 MAPK14 (0.43) MAPK14CDK5CDK5R1IMPDH2CNR1
SCHEMBL1749978 0.82 MAPK14 (0.40) MAPK14CDK5CDK5R1IMPDH2MAPK1
SCHEMBL1750424 0.82 CHEK1 (0.43) MAPK14CDK5CDK5R1MAPK1CNR1

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 30 patents — showing the first 20. 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
US-20070259870-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2007-11-08 US claimed
CN-1972930-A Novel pyridazinone derivatives as inhibitors of CDK2 AVENTIS PHARMA SA (FR) 2007-05-30 CN claimed
EP-1751141-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 Aventis Pharma S.A. (FR) 2007-02-14 EP claimed
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO claimed
EP-1598348-A1 Novel pyridazinone derivatives as inhibitors of CDK2 Aventis Pharma Deutschland GmbH (DE) 2005-11-23 EP 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-7968546-B2 Pyridazinone kinase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-28 US 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-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 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-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 (2 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 MAPK14 314/4885CDK5 90/4885CDK5R1 209/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 MAPK14 160/4885CDK5 12/4885CDK5R1 44/4885

“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.