SCHEMBL2412923

SCHEMBL2412923

COc1ccc(CNC(=O)c2cc3c(NC(=O)c4cccs4)n[nH]c3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
KDR P35968 2/20 0.54
MAPKAPK2 P49137 2/20 0.54
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.49
CHRM4 P08173 1/20 0.49
TSHR P16473 1/20 0.49
ABL1 P00519 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
ESR1 P03372 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
SENP5 Q96HI0 1/20 0.45
SENP2 Q9HC62 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
SCHEMBL2422290 0.91 ROCK2 (0.56) ALDH1A1HPGDKDRMAPKAPK2POLB
SCHEMBL2415566 0.90 CSNK2A2 (0.48) ALDH1A1HPGDKDRMAPKAPK2POLB
SCHEMBL2418622 0.89 KDR (0.53) ALDH1A1HPGDKDRMAPKAPK2MAPT
SCHEMBL2415580 0.88 KDR (0.52) ALDH1A1HPGDKDRMAPKAPK2POLB
SCHEMBL2412120 0.88 NPC1 (0.48) ALDH1A1HPGDKDRMAPKAPK2MAPT
SCHEMBL2414032 0.86 KDR (0.53) ALDH1A1HPGDKDRMAPKAPK2MAPT
SCHEMBL2415772 0.86 KDR (0.51) ALDH1A1HPGDKDRMAPKAPK2POLB
SCHEMBL2419373 0.85 HPGD (0.64) ALDH1A1HPGDPOLBMAPTTSHR
SCHEMBL2420561 0.84 ABL1 (0.49) ALDH1A1HPGDKDRMAPKAPK2POLB
SCHEMBL741896 0.83 RAB9A (0.47) ALDH1A1HPGDPOLBMAPTTSHR

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 ALDH1A1 2743/4885HPGD 2331/4885KDR 1181/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 ALDH1A1 2743/4885HPGD 2331/4885KDR 1181/4885

“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.