SCHEMBL5954400

SCHEMBL5954400

[C-]#[N+]c1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)ccc1OCCO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.39
MET P08581 3/20 0.37
CSNK1D P48730 3/20 0.36
CSNK1E P49674 3/20 0.36
IKBKE Q14164 2/20 0.35
TBK1 Q9UHD2 2/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL5955046 0.88 KDR (0.34) KDRMETCSNK1DCSNK1EIKBKE
SCHEMBL251969 0.87 KDR (0.39) KDRMETCSNK1DCSNK1EIKBKE
SCHEMBL5955068 0.86 KDR (0.37) KDRCSNK1DCSNK1EBRAF
SCHEMBL5954775 0.83 RIPK1 (0.37)
SCHEMBL5954386 0.83 KDR (0.43) KDRCSNK1DCSNK1EBRAF
SCHEMBL251980 0.81 KDR (0.41) KDRCSNK1DCSNK1EBRAF
SCHEMBL5955517 0.81 CSNK1D (0.43) KDRCSNK1DCSNK1E
SCHEMBL5954879 0.80 KDR (0.43) KDRMETCSNK1DCSNK1EBRAF
SCHEMBL2748206 0.80 MET (0.47) KDRMETCSNK1DCSNK1E
SCHEMBL253143 0.80 KDR (0.46) KDRMETCSNK1DCSNK1EBRAF

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 2 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-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 1387/4885MET 86/4885CSNK1D 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.