SCHEMBL5954737

SCHEMBL5954737

O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCCC5)cn34)ccc2n1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.42
KDR P35968 7/20 0.41
CSNK1D P48730 10/20 0.39
CSNK1E P49674 10/20 0.39
MET P08581 2/20 0.37
JAK1 P23458 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
SCHEMBL5955578 0.92 JAK1 (0.43) KDRCSNK1DCSNK1EMETJAK1
SCHEMBL5955294 0.92 ABL1 (0.44) ABL1KDRCSNK1DCSNK1EMET
SCHEMBL5954846 0.87 KDR (0.39) KDRCSNK1DCSNK1EMET
SCHEMBL5954855 0.86 KDR (0.41) KDRCSNK1DCSNK1EMET
SCHEMBL5954844 0.86 KDR (0.39) KDRCSNK1DCSNK1EMET
SCHEMBL3397327 0.86 KDR (0.44) KDRCSNK1DCSNK1EMET
SCHEMBL5954869 0.86 KDR (0.48) KDRCSNK1DCSNK1EMET
SCHEMBL252350 0.86 ABL1 (0.42) ABL1KDRCSNK1DCSNK1EMET
SCHEMBL252254 0.85 KDR (0.43) KDRCSNK1DCSNK1EMET
SCHEMBL251983 0.85 KDR (0.43) ABL1KDRCSNK1DCSNK1EMET

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 5 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 disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 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 (1 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT ABL1 114/4885KDR 1387/4885CSNK1D 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.