SCHEMBL8236231

SCHEMBL8236231

N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCN(C3CC3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.54
KCNH2 Q12809 11/20 0.54
CTSS P25774 7/20 0.52
CTSB P07858 3/20 0.52
HRH3 Q9Y5N1 1/20 0.48
CTSL P07711 2/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3873580 0.88 HRH3 (0.51) CTSKKCNH2CTSSCTSBHRH3
Trifluoroacetic Acid SCHEMBL3877780 0.86 CTSK (0.53) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL8241648 0.85 CTSK (0.56) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL3875344 0.84 CTSK (0.55) CTSKKCNH2CTSSCTSBHRH3
SCHEMBL3875768 0.82 CTSK (0.62) CTSKKCNH2CTSSCTSBHRH3
SCHEMBL3878550 0.80 CTSK (0.53) CTSKKCNH2CTSSCTSBHRH3
SCHEMBL3873575 0.80 CTSK (0.51) CTSKCTSSHRH3ALDH1A1
SCHEMBL3873102 0.79 CTSK (0.61) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL3880950 0.79 CTSK (0.54) CTSKKCNH2CTSSCTSBCTSL
Hydrochloric Acid SCHEMBL3885789 0.79 CTSK (0.50) CTSKCTSSHRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 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-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF CTSK 1/4885KCNH2 2191/4885CTSS 2/4885

“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.