SCHEMBL252205

SCHEMBL252205

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.49
KDR P35968 14/20 0.48
JAK1 P23458 1/20 0.48
JAK2 O60674 1/20 0.47
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
BRAF P15056 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL252764 0.92 JAK1 (0.51) PIK3CGKDRJAK1JAK2PDGFRB
SCHEMBL253291 0.89 RIPK1 (0.49) KDRBRAF
SCHEMBL254198 0.87 KDR (0.42) PIK3CGKDRJAK1AURKAPDGFRB
SCHEMBL252774 0.87 KDR (0.42) PIK3CGKDRJAK1AURKAPDGFRB
SCHEMBL252807 0.87 KDR (0.41) PIK3CGKDRJAK1AURKAPDGFRB
SCHEMBL253704 0.87 JAK1 (0.44) PIK3CGKDRJAK1JAK2AURKA
SCHEMBL252525 0.87 PIK3CD (0.49) PIK3CGKDRJAK1JAK2AURKA
SCHEMBL251085 0.85 CSNK1D (0.54) KDRBRAF
SCHEMBL252275 0.85 JAK1 (0.45) KDRJAK1PDGFRBFLT1
SCHEMBL252391 0.84 JAK1 (0.43) KDRJAK1

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.