SCHEMBL2415580

SCHEMBL2415580

O=C(Nc1n[nH]c2sc(C(=O)NCc3ccc(Cl)cc3)cc12)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
PLK4 O00444 2/20 0.52
AURKA O14965 2/20 0.52
PRKD3 O94806 2/20 0.52
MAP4K4 O95819 2/20 0.52
CHEK2 O96017 2/20 0.52
RPS6KB1 P23443 2/20 0.52
MAPK1 P28482 2/20 0.52
FLT4 P35916 2/20 0.52
CLK2 P49760 2/20 0.52
PRKX P51817 2/20 0.52
CSNK1G2 P78368 2/20 0.52
DYRK1A Q13627 2/20 0.52
BRSK1 Q8TDC3 2/20 0.52
AURKB Q96GD4 2/20 0.52
SLK Q9H2G2 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
SGK2 Q9HBY8 2/20 0.52
PDPK1 O15530 1/20 0.52
DYRK3 O43781 1/20 0.52

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
SCHEMBL2418622 0.91 KDR (0.53) KDRPLK4AURKAPRKD3MAP4K4
SCHEMBL2410767 0.91 NPC1 (0.52) KDRPLK4AURKAPRKD3MAP4K4
SCHEMBL2412120 0.90 NPC1 (0.48) KDRPLK4AURKAPRKD3MAP4K4
SCHEMBL2415566 0.90 CSNK2A2 (0.48) KDRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2412923 0.88 ALDH1A1 (0.64) KDRPLK4AURKAPRKD3MAP4K4
SCHEMBL2413626 0.86 ABL1 (0.47) MAPK1MAPTSMN1; SMN2POLBABL1
SCHEMBL2417384 0.85 AURKA (0.51) KDRPLK4AURKAPRKD3MAP4K4
SCHEMBL2420561 0.85 ABL1 (0.49) KDRPLK4AURKAPRKD3MAP4K4
SCHEMBL2417864 0.85 RAB9A (0.44) KDRMAPK1MAPTNPC1RAB9A
SCHEMBL2413694 0.85 KDR (0.48) KDRPLK4AURKAPRKD3MAP4K4

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 1181/4885PLK4 66/4885AURKA 41/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 KDR 1181/4885PLK4 66/4885AURKA 41/4885

“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.