SCHEMBL2415476

SCHEMBL2415476

O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c2sc(C(=O)Nc3c(Cl)cccc3Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.44
CDK1 P06493 3/20 0.44
MAPK1 P28482 3/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
CDK4 P11802 2/20 0.42
NLRP3 Q96P20 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
CHEK2 O96017 2/20 0.40
RPS6KB1 P23443 2/20 0.40
FLT4 P35916 2/20 0.40
CLK2 P49760 2/20 0.40
PRKX P51817 2/20 0.40
CSNK1G2 P78368 2/20 0.40

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
SCHEMBL2412951 0.93 CDK2 (0.45) CDK2CDK1MAPK1CDK4KDM4E
SCHEMBL2416533 0.92 CDK2 (0.41) CDK2CDK1MAPK1GSK3AGSK3B
SCHEMBL2418996 0.92 CDK2 (0.41) CDK2CDK1MAPK1GSK3AGSK3B
SCHEMBL2418629 0.91 NLRP3 (0.44) CDK2CDK1MAPK1GSK3AGSK3B
SCHEMBL2419104 0.90 NLRP3 (0.44) CDK2NLRP3KDM4EPOLBMAPT
SCHEMBL2419140 0.90 CDK2 (0.42) CDK2CDK1MAPK1GSK3AGSK3B
SCHEMBL2420079 0.89 MAPT (0.47) CDK2CDK1MAPK1GSK3AGSK3B
SCHEMBL2416650 0.87 MAPT (0.48) CDK2CDK1MAPK1GSK3AGSK3B
SCHEMBL2416783 0.85 TP53 (0.51) CDK2CDK1MAPK1GSK3AGSK3B
SCHEMBL2415170 0.85 NLRP3 (0.44) CDK2CDK1MAPK1GSK3AGSK3B

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 21/4885MAPK1 138/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 CDK2 1/4885CDK1 21/4885MAPK1 138/4885

“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.