SCHEMBL248460

SCHEMBL248460

O=C(NC1CC1)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.41
KDR P35968 13/20 0.41
BRAF P15056 1/20 0.39
CSNK1D P48730 3/20 0.39
CSNK1E P49674 3/20 0.39
JAK2 O60674 1/20 0.38
MET P08581 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PDGFRB P09619 2/20 0.36
FLT1 P17948 2/20 0.36
AURKA O14965 1/20 0.36
KIT P10721 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
YES1 P07947 1/20 0.36
RET P07949 1/20 0.36
BCR P11274 1/20 0.36
PDGFRA P16234 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
SCHEMBL5955126 0.90 KDR (0.41) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL252980 0.89 KDR (0.43) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL5955121 0.89 KDR (0.39) KDRBRAFCSNK1DCSNK1EJAK2
SCHEMBL5954136 0.88 KDR (0.42) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL5954441 0.88 KDR (0.40) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL253306 0.86 KDR (0.41) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL253869 0.86 KDR (0.39) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL3403851 0.86 KDR (0.41) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL3397327 0.85 KDR (0.44) KDRBRAFCSNK1DCSNK1EMET
SCHEMBL5954869 0.85 KDR (0.48) KDRBRAFCSNK1DCSNK1EMET

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 142/4885BRAF 163/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT JAK1 396/4885KDR 1387/4885BRAF 483/4885

“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.