SCHEMBL2416650

SCHEMBL2416650

O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c2sc(C(=O)Nc3cccc(Cl)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RXFP1 Q9HBX9 1/20 0.47
NLRP3 Q96P20 1/20 0.47
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 4/20 0.45
CDK1 P06493 2/20 0.44
CDK2 P24941 2/20 0.44
MAPK1 P28482 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.43
CDK4 P11802 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL2418505 0.94 RXFP1 (0.52) MAPTMEN1KMT2ARXFP1KDM4E
SCHEMBL2420156 0.94 MAPT (0.47) MAPTMEN1KMT2ARXFP1NLRP3
SCHEMBL2417480 0.94 MAPT (0.46) MAPTMEN1KMT2ARXFP1NLRP3
SCHEMBL2416092 0.92 NLRP3 (0.48) MAPTMEN1KMT2ARXFP1NLRP3
SCHEMBL2416783 0.92 TP53 (0.51) MAPTMEN1KMT2ARXFP1NLRP3
SCHEMBL2415170 0.92 NLRP3 (0.44) MAPTMEN1KMT2ARXFP1NLRP3
SCHEMBL2417977 0.91 TP53 (0.56) MAPTMEN1KMT2ARXFP1NLRP3
SCHEMBL2420152 0.89 LMNA (0.48) MAPTMEN1KMT2ARXFP1NLRP3
SCHEMBL2419161 0.89 L3MBTL1 (0.53) MAPTMEN1KMT2ANLRP3POLB
SCHEMBL2415476 0.87 CDK2 (0.44) MAPTMEN1KMT2ANLRP3KDM4E

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 MAPT 2293/4885MEN1 2694/4885KMT2A 1298/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 MAPT 2293/4885MEN1 2694/4885KMT2A 1298/4885

“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.