SCHEMBL2415972

SCHEMBL2415972

O=C(Nc1n[nH]c2sc(C(=O)NCc3cccc(F)c3)cc12)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.45
ROCK1 Q13464 1/20 0.45
NAMPT P43490 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CSNK2A1 P68400 3/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP4K2 Q12851 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIM3 Q86V86 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42

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
SCHEMBL2418392 0.90 L3MBTL1 (0.56) ROCK2NAMPTCSNK2A1MAP4K4CDK1
SCHEMBL2414645 0.89 KDR (0.53) ROCK2ROCK1NAMPTCSNK2A1MAP4K4
SCHEMBL2418737 0.89 CSNK2A1 (0.46) ROCK2ROCK1NAMPTMAPTCSNK2A1
SCHEMBL2420757 0.89 MAPK1 (0.52) ROCK2ROCK1NAMPTMAPTCSNK2A1
SCHEMBL2417864 0.87 RAB9A (0.44) ROCK2ROCK1MAPTCSNK2A1CSNK2A2
SCHEMBL2411120 0.86 ROCK2 (0.56) ROCK2ROCK1NAMPTMAPTTP53
SCHEMBL2419147 0.86 CDK2 (0.47) ROCK2ROCK1MAPTTP53CSNK2A1
SCHEMBL2418305 0.85 ADORA2A (0.43) ROCK2ROCK1MAPTTP53CSNK2A1
SCHEMBL2417245 0.85 AURKA (0.52) ROCK2MAPTCSNK2A1MAP4K4CDK2
SCHEMBL2417004 0.84 NAMPT (0.47) ROCK2ROCK1NAMPTMAPTCSNK2A1

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 ROCK2 872/4885ROCK1 806/4885NAMPT 1481/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 ROCK2 872/4885ROCK1 806/4885NAMPT 1481/4885

“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.