SCHEMBL253719

SCHEMBL253719

COc1cccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.48
KDR P35968 13/20 0.47
JAK1 P23458 1/20 0.47
JAK2 O60674 1/20 0.46
BRAF P15056 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AURKA O14965 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
CSNK1D P48730 2/20 0.41
CSNK1E P49674 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL253235 0.92 KDR (0.47) KDRJAK1BRAFAURKAPDGFRB
SCHEMBL253850 0.92 JAK1 (0.50) PIK3CGKDRJAK1JAK2CSNK1D
SCHEMBL253669 0.89 KDR (0.47) KDRBRAFCSNK1DCSNK1E
SCHEMBL252585 0.88 PIK3CD (0.49) PIK3CGKDRCSNK1DCSNK1E
SCHEMBL253794 0.88 KDR (0.42) PIK3CGKDRJAK1BRAFCSNK1D
SCHEMBL253843 0.87 KDR (0.43) KDRJAK1BRAFCSNK1DCSNK1E
SCHEMBL253863 0.86 JAK1 (0.45) KDRJAK1JAK2BRAFCSNK1D
SCHEMBL253202 0.86 KDR (0.42) PIK3CGKDRJAK1JAK2BRAF
SCHEMBL252648 0.85 CSNK1D (0.47) KDRBRAFCSNK1DCSNK1E
SCHEMBL253157 0.85 CSNK1D (0.52) KDRBRAFCSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CG 3403/4885KDR 142/4885JAK1 325/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT PIK3CG 621/4885KDR 1387/4885JAK1 396/4885

“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.