SCHEMBL3882387

SCHEMBL3882387

CSc1nc(OCCN2CCCCC2)cc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
KCNH2 Q12809 2/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
LTA4H P09960 1/20 0.47
SLC2A1 P11166 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.44
ACP1 P24666 1/20 0.43
CXCR1 P25024 1/20 0.42
CNR2 P34972 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL3875223 0.83 CTSK (0.48) CTSKKCNH2CTSBCTSSLTA4H
SCHEMBL3875703 0.82 CTSK (0.69) CTSKKCNH2CTSBCTSSLTA4H
SCHEMBL3875774 0.77 LMNA (0.46) CTSKCTSSLMNA
SCHEMBL3874455 0.73 CTSK (0.70) CTSKKCNH2CTSBCTSSLMNA
SCHEMBL5593071 0.72 LMNA (0.56) CTSKCTSSLMNA
SCHEMBL11244902 0.71 LTA4H (0.81) LTA4HHRH3LMNA
SCHEMBL14970473 0.71 LTA4H (0.81) LTA4HHRH3LMNA
SCHEMBL3557728 0.71 LMNA (0.55) CTSKCTSSLMNA
Hydrochloric Acid SCHEMBL14969107 0.70 LTA4H (0.79) LTA4HHRH3LMNA
SCHEMBL3874666 0.70 LMNA (0.54) CTSKKCNH2CTSBCTSSLMNA

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 5 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
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 2191/4885CTSB 4/4885

“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.