SCHEMBL4454356

SCHEMBL4454356

CCCc1cc(-c2ccc(C)c(F)c2)nc(C#N)n1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.78
CTSS P25774 18/20 0.72

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
SCHEMBL4454513 0.90 CTSK (0.78) CTSKCTSS
SCHEMBL4444488 0.88 CTSK (1.00) CTSKCTSS
SCHEMBL4446359 0.86 CTSK (0.72) CTSKCTSS
SCHEMBL4450218 0.84 CTSK (0.78) CTSKCTSS
SCHEMBL4452268 0.84 CTSK (1.00) CTSKCTSS
SCHEMBL4444529 0.83 CTSK (0.67) CTSKCTSS
SCHEMBL4446186 0.83 CTSK (0.70) CTSKCTSS
SCHEMBL4451759 0.83 CTSK (0.80) CTSKCTSS
SCHEMBL4446382 0.81 CTSK (1.00) CTSKCTSS
SCHEMBL4447810 0.78 CTSK (0.73) CTSKCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 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-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 CTSK 1852/4885CTSS 2645/4885

“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.