SCHEMBL2415641

SCHEMBL2415641

O=C(Cc1cccc(F)c1)Nc1n[nH]c2sc(C(=O)NCc3ccccc3F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
HPGD P15428 1/20 0.41
CSNK2A2 P19784 2/20 0.40
KDR P35968 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
GLS O94925 2/20 0.40
PLK1 P53350 1/20 0.40
AKT1 P31749 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PRKACA P17612 1/20 0.38
ROCK1 Q13464 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL2419587 0.91 MAPT (0.46) CDK2CDK1CDK4HPGDCSNK2A2
SCHEMBL2423392 0.91 CSNK2A2 (0.43) CDK2CDK1CDK4HPGDCSNK2A2
SCHEMBL2417686 0.91 KDR (0.43) CDK2CDK1CDK4CSNK2A2KDR
SCHEMBL2413743 0.91 MAPT (0.47) CDK2CDK1CDK4HPGDCSNK2A2
SCHEMBL2417352 0.91 KDR (0.49) CDK2CDK1CDK4CSNK2A2KDR
SCHEMBL2419147 0.91 CDK2 (0.47) CDK2CDK1CDK4CSNK2A2KDR
SCHEMBL2414910 0.89 MAPK1 (0.50) CDK2KDRGLSMAPKAPK2MAPT
SCHEMBL2417711 0.89 CYP1A2 (0.51) CDK2CDK1CDK4HPGDKDR
SCHEMBL2417677 0.88 CDK1 (0.45) CDK2CDK1CDK4CSNK2A2KDR
SCHEMBL2984547 0.87 MAPT (0.43) CDK2CDK1CDK4HPGDCSNK2A2

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 9 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

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.