SCHEMBL4592232

SCHEMBL4592232

OCc1cncc(-c2cccc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
PRKCI P41743 1/20 0.49
FYN P06241 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
ALOX5 P09917 1/20 0.43
P2RX7 Q99572 1/20 0.43
MAOB P27338 2/20 0.42
IDO1 P14902 2/20 0.42
CYP2A6 P11509 1/20 0.42
CDK8 P49336 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL4591821 0.85 TAAR1 (0.47) TAAR1ALOX5P2RX7MAOBIDO1
SCHEMBL6968998 0.82 PRKCI (0.58) PRKCIFYNTAAR1ALOX5MAOB
SCHEMBL4591262 0.81 CYP11B1 (0.53) CYP11B1CYP11B2PRKCICYP2A6PRMT5
SCHEMBL5021553 0.80 FDPS (0.57) CYP11B1CYP11B2PRKCICYP2A6PRMT5
SCHEMBL20470517 0.80 CYP11B2 (0.55) CYP11B1CYP11B2PRKCIFYNTAAR1
SCHEMBL29796762 0.80 IDO1 (0.52) CYP11B1CYP11B2TAAR1ALOX5IDO1
SCHEMBL30957059 0.80 IDO1 (0.52) CYP11B1CYP11B2TAAR1ALOX5IDO1
SCHEMBL30345840 0.80 IDO1 (0.52) CYP11B1CYP11B2TAAR1ALOX5IDO1
SCHEMBL4430423 0.78 CYP11B2 (0.54) CYP11B1CYP11B2PRKCIP2RX7CYP2A6
SCHEMBL29762004 0.77 ALOX5 (0.56) CYP11B1CYP11B2TAAR1ALOX5IDO1

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
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD CYP11B1 127/4885CYP11B2 103/4885PRKCI 2810/4885

“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.