SCHEMBL2415772

SCHEMBL2415772

COc1ccc(CNC(=O)c2cc3c(NC(=O)c4nccs4)n[nH]c3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
MAPKAPK2 P49137 2/20 0.51
CHRM4 P08173 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
RET P07949 1/20 0.42
PIM1 P11309 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
SCHEMBL2419889 0.91 ROCK2 (0.53) KDRMAPKAPK2ALDH1A1HPGDMAPT
SCHEMBL2416001 0.90 KDM4E (0.45) KDRMAPKAPK2CHRM4HPGDMAPT
SCHEMBL2417695 0.88 MEN1 (0.43) KDRMAPKAPK2ALDH1A1HPGDMAPT
SCHEMBL2413694 0.88 KDR (0.48) KDRMAPKAPK2ALDH1A1HPGDMAPT
SCHEMBL2417725 0.88 KDR (0.50) KDRMAPKAPK2ALDH1A1PLK4CHEK1
SCHEMBL2412923 0.86 ALDH1A1 (0.64) KDRMAPKAPK2CHRM4ALDH1A1HPGD
SCHEMBL2414032 0.85 KDR (0.53) KDRMAPKAPK2CHRM4ALDH1A1HPGD
SCHEMBL2418711 0.84 HPGD (0.48) ALDH1A1HPGDMAPTTP53RXFP1
SCHEMBL2421449 0.84 KDR (0.44) KDRMAPKAPK2ALDH1A1HPGDMAPT
SCHEMBL2418305 0.82 ADORA2A (0.43) KDRMAPKAPK2MAPTTP53PLK4

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 1181/4885MAPKAPK2 58/4885CHRM4 4694/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 KDR 1181/4885MAPKAPK2 58/4885CHRM4 4694/4885

“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.