SCHEMBL1629699

SCHEMBL1629699

OCCCc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.45
FFAR4 Q5NUL3 3/20 0.44
TRPV1 Q8NER1 1/20 0.42
NOTUM Q6P988 1/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
CA2 P00918 1/20 0.36
P2RX7 Q99572 1/20 0.36
GPR183 P32249 1/20 0.36
CNR1 P21554 1/20 0.36
EPAS1 Q99814 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MAOB P27338 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 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
SCHEMBL5422011 0.89 POLQ (0.47) POLQFFAR4TRPV1NOTUMCTSS
SCHEMBL12682526 0.83 POLQ (0.50) POLQTRPV1CYP1A2CYP2D6CYP2C19
SCHEMBL3535046 0.82 CTSS (0.49) FFAR4TRPV1NOTUMCTSSCTSK
SCHEMBL27818434 0.82 POLQ (0.51) POLQFFAR4CYP1A2CYP2D6CYP2C19
SCHEMBL3902853 0.81 DAO (0.49) POLQFFAR4TRPV1CTSSCTSK
SCHEMBL13012597 0.79 CTSS (0.42) FFAR4TRPV1NOTUMCTSSCTSK
SCHEMBL18682191 0.79 POLQ (0.47) POLQCTSSCTSKCYP1A2CYP2D6
SCHEMBL27851289 0.79 POLQ (0.43) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL14992788 0.79 HTR2A (0.44) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL11603196 0.77 POLQ (0.48) POLQCYP1A2CYP2D6CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932251-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-04-26 US disclosed
US-7932251-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-04-26 US disclosed
US-7932251-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-04-26 US disclosed
EP-2178873-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS ORGANON NV (NL) 2010-12-22 EP disclosed
EP-2178873-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS ORGANON NV (NL) 2010-12-22 EP disclosed
EP-2178873-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. Organon (NL) 2010-04-28 EP disclosed
US-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N. V. ORGANON 2009-04-16 US disclosed
US-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N. V. ORGANON 2009-04-16 US disclosed
US-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N. V. ORGANON 2009-04-16 US disclosed
WO-2009010491-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. ORGANON (NL) 2009-01-22 WO disclosed
WO-2009010491-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. ORGANON (NL) 2009-01-22 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-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSB POLQ 3354/4885FFAR4 491/4885TRPV1 30/4885

“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.