SCHEMBL4592022

SCHEMBL4592022

ClCc1cccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
KMO O15229 1/20 0.45
IDO1 P14902 2/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MAP4K4 O95819 2/20 0.44
NOTUM Q6P988 2/20 0.44
PLK1 P53350 1/20 0.43
CYP19A1 P11511 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL16629543 0.84 CTSS (0.50) CNR2KMOIDO1CTSSCTSK
SCHEMBL4591178 0.84 CNR2 (0.48) CNR2KMOIDO1CTSSCTSK
SCHEMBL29470230 0.82 IDO1 (0.55) CNR2KMOIDO1MAP4K4NOTUM
SCHEMBL4592241 0.81 GFER (0.47) CNR2KMOCYP19A1
SCHEMBL5376937 0.81 MEN1 (0.60)
SCHEMBL18014812 0.80 CNR2 (0.46) CNR2KMOIDO1CTSSCTSK
Hydrochloric Acid SCHEMBL10633653 0.79 MEN1 (0.58)
SCHEMBL9356103 0.78 CCR1 (0.40)
SCHEMBL29595186 0.78 CCR1 (0.40)
SCHEMBL38663516 0.77 CNR2 (0.50) CNR2KMOIDO1MAP4K4NOTUM

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 CNR2 1244/4885KMO 582/4885IDO1 791/4885

“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.