SCHEMBL5954970

SCHEMBL5954970

[C-]#[N+]c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 14/20 0.42
CSNK1E P49674 14/20 0.42
KDR P35968 3/20 0.39
MET P08581 1/20 0.36
JAK1 P23458 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL253157 0.90 CSNK1D (0.52) CSNK1DCSNK1EKDR
SCHEMBL254365 0.89 CSNK1D (0.43) CSNK1DCSNK1EKDR
SCHEMBL251275 0.87 CSNK1D (0.44) CSNK1DCSNK1EKDRMETJAK1
SCHEMBL1550331 0.87 CSNK1D (0.42) CSNK1DCSNK1EKDRMET
SCHEMBL254339 0.87 CSNK1D (0.44) CSNK1DCSNK1EKDRMETJAK1
SCHEMBL253850 0.87 JAK1 (0.50) CSNK1DCSNK1EKDRMETJAK1
SCHEMBL251693 0.87 CSNK1D (0.42) CSNK1DCSNK1EKDRJAK1LRRK2
SCHEMBL252648 0.86 CSNK1D (0.47) CSNK1DCSNK1EKDRMET
SCHEMBL254350 0.86 CSNK1D (0.43) CSNK1DCSNK1EKDRJAK1
SCHEMBL1551478 0.86 CSNK1D (0.43) CSNK1DCSNK1EKDR

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 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.