SCHEMBL253704

SCHEMBL253704

CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(-c3cccc(C#N)c3)cn12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.44
KDR P35968 7/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
CSNK1D P48730 5/20 0.40
CSNK1E P49674 5/20 0.40
RIPK1 Q13546 2/20 0.40
USP30 Q70CQ3 1/20 0.39
JAK2 O60674 1/20 0.39
GSK3B P49841 1/20 0.39
AURKA O14965 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL253186 0.92 JAK1 (0.43) JAK1KDRCSNK1DCSNK1ERIPK1
SCHEMBL253291 0.88 RIPK1 (0.49) KDRCSNK1DCSNK1ERIPK1
SCHEMBL250933 0.87 CSNK1D (0.43) JAK1KDRCSNK1DCSNK1ERIPK1
SCHEMBL251901 0.87 CSNK1D (0.43) JAK1KDRCSNK1DCSNK1ERIPK1
SCHEMBL252774 0.87 KDR (0.42) JAK1KDRPIK3CDPIK3CGCSNK1D
SCHEMBL252205 0.87 PIK3CG (0.49) JAK1KDRPIK3CGJAK2AURKA
SCHEMBL254198 0.87 KDR (0.42) JAK1KDRPIK3CDPIK3CGCSNK1D
SCHEMBL252525 0.86 PIK3CD (0.49) JAK1KDRPIK3CDPIK3CGCSNK1D
SCHEMBL251085 0.84 CSNK1D (0.54) KDRCSNK1DCSNK1ERIPK1
SCHEMBL252743 0.83 GSK3B (0.46) PIK3CGCSNK1DCSNK1EGSK3B

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 JAK1 325/4885KDR 142/4885PIK3CD 3572/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT JAK1 396/4885KDR 1387/4885PIK3CD 631/4885

“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.