SCHEMBL254036

SCHEMBL254036

CC(C)(C)OC(=O)Nc1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.36
TTK P33981 1/20 0.34
CSNK1D P48730 11/20 0.33
CSNK1E P49674 10/20 0.33
PIK3CA P42336 2/20 0.33
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
PIK3CD O00329 1/20 0.31
AKT1 P31749 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
BCL2 P10415 1/20 0.31

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
SCHEMBL3398961 0.89 TTK (0.34) TTKCSNK1DCSNK1EPIK3CAGSK3B
SCHEMBL253484 0.87 CSNK1D (0.38) MAP3K5CSNK1DCSNK1EPIK3CAPIK3CD
SCHEMBL253423 0.83 KDR (0.42) CSNK1DCSNK1E
SCHEMBL252186 0.78 AHR (0.36)
SCHEMBL251970 0.75 PIK3CG (0.40) PIK3CAAKT1MTORPIK3CG
SCHEMBL5954647 0.74 KDR (0.43) CSNK1DCSNK1E
SCHEMBL5955497 0.74 KDR (0.42) CSNK1DCSNK1E
SCHEMBL14318039 0.72 MAP3K5 (0.62) MAP3K5NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL5955490 0.72 CSNK1D (0.42) CSNK1DCSNK1E
SCHEMBL5954776 0.71 CSNK1D (0.42) CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP disclosed
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP disclosed
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
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

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 MAP3K5 837/4885TTK 1303/4885CSNK1D 2737/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT MAP3K5 406/4885TTK 2007/4885CSNK1D 225/4885

“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.