SCHEMBL5954875

SCHEMBL5954875

O=C(Nc1cn2nc(C3(c4nnc5ccccn45)CC3)ccc2n1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 8/20 0.52
CSNK1E P49674 8/20 0.52
KDR P35968 11/20 0.45
BRAF P15056 1/20 0.39
MET P08581 2/20 0.39
JAK1 P23458 1/20 0.39
AURKA O14965 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL5954626 0.86 KDR (0.45) CSNK1DCSNK1EKDRMETAURKA
SCHEMBL5955625 0.81 GSK3B (0.48) CSNK1DCSNK1E
SCHEMBL251711 0.78 CSNK1D (0.53) CSNK1DCSNK1EKDRBRAFMET
SCHEMBL1551292 0.77 CSNK1D (0.52) CSNK1DCSNK1EKDRMETAURKA
SCHEMBL253801 0.76 CSNK1D (0.51) CSNK1DCSNK1EKDRMETJAK1
SCHEMBL5954787 0.76 CSNK1D (0.51) CSNK1DCSNK1EKDRMETJAK1
SCHEMBL13756343 0.70 KDR (0.57) CSNK1DCSNK1EKDRBRAFMET
SCHEMBL245728 0.69 KDR (0.56) CSNK1DCSNK1EKDRBRAFMET
SCHEMBL3397547 0.69 KDR (0.56) CSNK1DCSNK1EKDRBRAFMET
SCHEMBL248352 0.69 KDR (0.56) CSNK1DCSNK1EKDRBRAFMET

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 CSNK1D 225/4885CSNK1E 119/4885KDR 1387/4885

“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.