SCHEMBL252644

SCHEMBL252644

N#Cc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.42
KDM4E B2RXH2 1/20 0.41
CSNK1D P48730 9/20 0.40
CSNK1E P49674 9/20 0.40
JAK1 P23458 1/20 0.37
MET P08581 2/20 0.37
BRAF P15056 1/20 0.36

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
SCHEMBL252187 0.89 KDR (0.42) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL253537 0.88 KDR (0.43) KDRKDM4ECSNK1DCSNK1EJAK1
SCHEMBL5954869 0.87 KDR (0.48) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL3397327 0.87 KDR (0.44) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5955351 0.86 KDR (0.43) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL251983 0.86 KDR (0.43) KDRCSNK1DCSNK1EMET
SCHEMBL250805 0.86 KDR (0.43) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL252254 0.86 KDR (0.43) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL252980 0.85 KDR (0.43) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5955328 0.84 KDR (0.41) KDRCSNK1DCSNK1EJAK1MET

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
US-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-28 US disclosed
EP-2588107-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET Takeda Pharmaceutical Company Limited (JP) 2013-05-08 EP disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
EP-2313407-A1 cMET INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET HGF, MET, HGFAC KDR 142/4885KDM4E 2451/4885CSNK1D 2737/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT KDR 1387/4885KDM4E 664/4885CSNK1D 225/4885

“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.