SCHEMBL251980

SCHEMBL251980

O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cccc(CCCO)c5)cn34)ccc2n1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.41
CSNK1D P48730 4/20 0.39
CSNK1E P49674 4/20 0.39
ABL1 P00519 2/20 0.39
JAK1 P23458 3/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
RIPK1 Q13546 1/20 0.36
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
SCHEMBL2747202 0.86 KDR (0.47) KDRCSNK1DCSNK1ERIPK1BRAF
SCHEMBL253537 0.83 KDR (0.43) KDRCSNK1DCSNK1EJAK1PIK3CD
SCHEMBL5954386 0.83 KDR (0.43) KDRCSNK1DCSNK1EJAK1PIK3CD
SCHEMBL251978 0.83 ABL1 (0.36) KDRABL1JAK1
SCHEMBL1551067 0.82 CSNK1D (0.37) KDRCSNK1DCSNK1EABL1
SCHEMBL2748206 0.82 MET (0.47) KDRCSNK1DCSNK1E
SCHEMBL5955517 0.81 CSNK1D (0.43) KDRCSNK1DCSNK1ERIPK1
SCHEMBL5954829 0.81 CSNK1D (0.44) KDRCSNK1DCSNK1EJAK1RIPK1
SCHEMBL5954879 0.81 KDR (0.43) KDRCSNK1DCSNK1EABL1JAK1
SCHEMBL5954400 0.81 KDR (0.39) KDRCSNK1DCSNK1EBRAF

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 12 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
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

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 142/4885CSNK1D 2737/4885CSNK1E 1156/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT KDR 1387/4885CSNK1D 225/4885CSNK1E 119/4885

“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.