SCHEMBL2416145

SCHEMBL2416145

O=C(Cc1ccccc1Cl)Nc1n[nH]c2sc(C(=O)NCc3ccc(F)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
CHEK2 O96017 2/20 0.45
RET P07949 2/20 0.45
RPS6KB1 P23443 2/20 0.45
MAPK1 P28482 2/20 0.45
FLT4 P35916 2/20 0.45
FLT3 P36888 2/20 0.45
MAPK9 P45984 2/20 0.45
CSNK1G2 P78368 2/20 0.45
MELK Q14680 2/20 0.45
MINK1 Q8N4C8 2/20 0.45
AURKB Q96GD4 2/20 0.45
PRKD2 Q9BZL6 2/20 0.45
SLK Q9H2G2 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
SGK2 Q9HBY8 2/20 0.45
STK17A Q9UEE5 2/20 0.45
PLK4 O00444 1/20 0.45

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
SCHEMBL2416791 0.93 KDR (0.53) KDRPRKD3MAP4K4CHEK2RET
SCHEMBL2410853 0.93 KDR (0.50) KDRPRKD3MAP4K4CHEK2RET
SCHEMBL2984547 0.91 MAPT (0.43) KDRPRKD3MAP4K4CHEK2RET
SCHEMBL2414019 0.91 KDR (0.47) KDRPRKD3MAP4K4CHEK2RET
SCHEMBL2416281 0.90 HDAC1 (0.47) MAPK1CLK4STK17ACLK2PRKX
SCHEMBL2416285 0.89 MAPT (0.49) CLK4STK17ACLK2PRKXPKN2
SCHEMBL2416704 0.89 KDR (0.54) KDRPRKD3MAP4K4CHEK2RET
SCHEMBL2417568 0.88 NPSR1 (0.54) KDRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL2419188 0.88 KCNJ5 (0.46) KDRPRKD3MAP4K4CHEK2RET
SCHEMBL2413743 0.87 MAPT (0.47) KDRNPSR1CYP1A2CYP3A4CYP2D6

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 KDR 1181/4885PRKD3 188/4885MAP4K4 31/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 KDR 1181/4885PRKD3 188/4885MAP4K4 31/4885

“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.