SCHEMBL2419147

SCHEMBL2419147

O=C(Cc1cccc(F)c1)Nc1n[nH]c2sc(C(=O)NCc3cccc(F)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
GLS O94925 2/20 0.44
KDR P35968 3/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
PLK1 P53350 1/20 0.44
MAPK1 P28482 4/20 0.43
MAPKAPK2 P49137 2/20 0.43
AKT1 P31749 1/20 0.43
MAPT P10636 3/20 0.43
SRC P12931 2/20 0.43
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.42
PRKACA P17612 1/20 0.42
ROCK1 Q13464 1/20 0.42
SENP1 Q9P0U3 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2417352 0.96 KDR (0.49) CDK2CDK1CDK4GLSKDR
SCHEMBL2417677 0.95 CDK1 (0.45) CDK2CDK1CDK4GLSKDR
SCHEMBL2422203 0.95 KDR (0.44) CDK2CDK1CDK4GLSKDR
SCHEMBL2416287 0.95 MAPT (0.46) CDK2CDK1CDK4GLSKDR
SCHEMBL2416247 0.95 KDR (0.44) CDK2CDK1CDK4GLSKDR
SCHEMBL2417462 0.95 MAPT (0.46) CDK2CDK1CDK4GLSKDR
SCHEMBL2418866 0.93 MAPK1 (0.49) CDK2CDK1CDK4GLSKDR
SCHEMBL2422183 0.93 KDR (0.46) CDK2CDK1CDK4GLSKDR
SCHEMBL2417086 0.92 ROCK2 (0.53) CDK2GLSKDRMAPK1MAPKAPK2
SCHEMBL2416100 0.92 ROCK2 (0.53) CDK2GLSKDRMAPK1MAPKAPK2

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
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 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 (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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 CDK2 1/4885CDK1 21/4885CDK4 27/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 CDK2 1/4885CDK1 21/4885CDK4 27/4885

“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.