SCHEMBL5954536

SCHEMBL5954536

O=C(Nc1cn2nc(Sc3nnc4ccc(Nc5ccccc5)cn34)ccc2n1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.47
CSNK1D P48730 4/20 0.44
CSNK1E P49674 4/20 0.44
MET P08581 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
ABL1 P00519 1/20 0.42
ACVRL1 P37023 1/20 0.41
BRAF P15056 1/20 0.40
AURKA O14965 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL5954869 0.91 KDR (0.48) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5955024 0.88 KDR (0.44) KDRCSNK1DCSNK1EMETAURKA
SCHEMBL5955609 0.87 KDR (0.44) KDRCSNK1DCSNK1EMETAURKA
SCHEMBL5955573 0.87 KDR (0.42) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL251711 0.86 CSNK1D (0.53) KDRCSNK1DCSNK1EMETGAA
SCHEMBL5954864 0.86 KDR (0.42) KDRCSNK1DCSNK1EMETABL1
SCHEMBL5955605 0.86 KDR (0.42) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL252980 0.85 KDR (0.43) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL3397327 0.85 KDR (0.44) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5955340 0.85 KDR (0.42) KDRCSNK1DCSNK1EMETBRAF

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 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.