SCHEMBL2415683

SCHEMBL2415683

O=C(Cc1ccccc1)Nc1n[nH]c2sc(C(=O)Nc3ccccc3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK14 Q16539 1/20 0.41
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL2420148 0.94 MAPK1 (0.43) CDK2SMN1; SMN2POLBTP53NPC1
SCHEMBL2417089 0.92 SMN1; SMN2 (0.45) CDK2SMN1; SMN2POLBTP53NPC1
SCHEMBL2417748 0.92 MEN1 (0.44) CDK2SMN1; SMN2POLBTP53NPC1
SCHEMBL2420858 0.91 RORC (0.41) CDK2SMN1; SMN2POLBTP53NPC1
SCHEMBL2418708 0.90 RAB9A (0.42) CDK2SMN1; SMN2TP53NPC1RAB9A
SCHEMBL2417356 0.90 POLB (0.52) SMN1; SMN2POLBNPC1RAB9ANPSR1
SCHEMBL2417194 0.88 MAPT (0.48) CDK2NPC1RAB9AMEN1KMT2A
SCHEMBL2417890 0.87 NPC1 (0.42) CDK2SMN1; SMN2TP53NPC1RAB9A
SCHEMBL2417715 0.85 THRB (0.45) CDK2RAB9AMEN1KMT2ACDK1
SCHEMBL2416806 0.85 MAPT (0.51) CDK2SMN1; SMN2POLBTP53MEN1

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 CDK2 1/4885SMN1; SMN2 4291/4885POLB 1758/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 CDK2 1/4885SMN1; SMN2 4291/4885POLB 1758/4885

“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.