SCHEMBL3875768

SCHEMBL3875768

CN1CCCN(c2cc(-c3cccc(C(F)(F)F)c3)nc(C#N)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.62
KCNH2 Q12809 11/20 0.62
CTSS P25774 5/20 0.56
CTSB P07858 3/20 0.56
CTSL P07711 2/20 0.48
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL3874803 0.84 CTSK (0.53) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL3878550 0.84 CTSK (0.53) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL3875344 0.83 CTSK (0.55) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL8236231 0.82 CTSK (0.54) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL3873102 0.82 CTSK (0.61) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL3879713 0.82 GPR119 (0.49) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL8241648 0.80 CTSK (0.56) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL3873582 0.80 CTSK (0.63) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL4443981 0.80 CTSK (0.93) CTSKKCNH2CTSSCTSBCTSL
SCHEMBL603269 0.79 HRH4 (0.69) HTR1AADRA2AADRA2CHTR1DHTR2A

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 10 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 claimed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP claimed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US claimed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US claimed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 WO claimed
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP 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
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.