SCHEMBL5954598

SCHEMBL5954598

O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ccsc5)cn34)ccc2n1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
CSNK1D P48730 11/20 0.42
CSNK1E P49674 11/20 0.42
KDR P35968 4/20 0.40
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAP3K5 Q99683 1/20 0.37
MET P08581 1/20 0.36
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
SCHEMBL5955067 0.87 ADORA2A (0.43) CSNK1DCSNK1EKDR
SCHEMBL5954413 0.86 CSNK1D (0.42) CSNK1DCSNK1EKDRMETJAK1
SCHEMBL5955282 0.85 CSNK1D (0.42) CSNK1DCSNK1EKDR
SCHEMBL251936 0.85 CSNK1D (0.45) CSNK1DCSNK1EKDRMETJAK1
SCHEMBL5955517 0.85 CSNK1D (0.43) CSNK1DCSNK1EKDRGSK3B
SCHEMBL252249 0.85 GSK3B (0.47) PIK3CGCSNK1DCSNK1EGSK3BMET
SCHEMBL2747202 0.84 KDR (0.47) CSNK1DCSNK1EKDR
SCHEMBL5954869 0.84 KDR (0.48) CSNK1DCSNK1EKDRMET
SCHEMBL3397327 0.84 KDR (0.44) CSNK1DCSNK1EKDRMET
SCHEMBL5954730 0.84 CSNK1D (0.42) PIK3CGCSNK1DCSNK1EKDRGSK3B

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 PIK3CA 543/4885PIK3CG 621/4885CSNK1D 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.