SCHEMBL5954749

SCHEMBL5954749

CC(C)c1ccc2nnc(C(C)c3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.42
CSNK1D P48730 9/20 0.42
CSNK1E P49674 9/20 0.42
JAK1 P23458 1/20 0.41
MET P08581 1/20 0.39
RIPK1 Q13546 1/20 0.38
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
SCHEMBL252923 0.90 KDR (0.45) KDRCSNK1DCSNK1EMETRIPK1
SCHEMBL3407742 0.90 KDR (0.43) KDRCSNK1DCSNK1EJAK1MET
SCHEMBL247634 0.89 KDR (0.42) KDRCSNK1DCSNK1EMETRIPK1
SCHEMBL5954629 0.88 KDR (0.42) KDRCSNK1DCSNK1EMETAURKA
SCHEMBL5955163 0.87 KDR (0.42) KDRCSNK1DCSNK1EMETRIPK1
SCHEMBL253801 0.87 CSNK1D (0.51) KDRCSNK1DCSNK1EJAK1MET
SCHEMBL5955124 0.86 KDR (0.41) KDRCSNK1DCSNK1EMET
SCHEMBL251085 0.85 CSNK1D (0.54) KDRCSNK1DCSNK1ERIPK1
SCHEMBL253082 0.84 CSNK1D (0.42) KDRCSNK1DCSNK1EJAK1RIPK1
SCHEMBL252764 0.84 JAK1 (0.51) KDRCSNK1DCSNK1EJAK1MET

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 4 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

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 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.