SCHEMBL2422290

SCHEMBL2422290

COc1cccc(CNC(=O)c2cc3c(NC(=O)c4cccs4)n[nH]c3s2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.56
KDR P35968 2/20 0.56
MAPKAPK2 P49137 2/20 0.56
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
PDPK1 O15530 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
RET P07949 1/20 0.56
PIM1 P11309 1/20 0.56
FGFR1 P11362 1/20 0.56
FLT1 P17948 1/20 0.56
RPS6KB1 P23443 1/20 0.56
CDK2 P24941 1/20 0.56
MARK3 P27448 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL2412923 0.91 ALDH1A1 (0.64) ROCK2KDRMAPKAPK2PLK4CHEK1
SCHEMBL2420561 0.88 ABL1 (0.49) ROCK2KDRMAPKAPK2PLK4CHEK1
SCHEMBL2411120 0.88 ROCK2 (0.56) ROCK2KDRMAPKAPK2PLK4CHEK1
SCHEMBL2419889 0.87 ROCK2 (0.53) ROCK2KDRMAPKAPK2PLK4CHEK1
SCHEMBL2418622 0.87 KDR (0.53) KDRMAPKAPK2PLK4AURKAPDPK1
SCHEMBL2410767 0.86 NPC1 (0.52) KDRMAPKAPK2PLK4AURKAPDPK1
SCHEMBL2415654 0.86 ROCK2 (0.58) ROCK2KDRMAPKAPK2PLK4CHEK1
SCHEMBL2417864 0.86 RAB9A (0.44) ROCK2KDRMAPKAPK2MAPK1SMN1; SMN2
SCHEMBL2415566 0.84 CSNK2A2 (0.48) KDRMAPKAPK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL2419373 0.83 HPGD (0.64) MAPK1ALDH1A1HPGDMAPTGAA

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 872/4885KDR 1181/4885MAPKAPK2 58/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 ROCK2 872/4885KDR 1181/4885MAPKAPK2 58/4885

“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.