SCHEMBL4592371

SCHEMBL4592371

COC(=O)c1cncc(-c2cccc(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.58
CYP11B2 P19099 3/20 0.58
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
ATM Q13315 1/20 0.50
CDK8 P49336 1/20 0.49
SLC6A3 Q01959 4/20 0.49
CYP2A6 P11509 1/20 0.49
NEK1 Q96PY6 3/20 0.48
CYP19A1 P11511 1/20 0.48
SLC6A2 P23975 1/20 0.48
KDR P35968 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALPL P05186 1/20 0.46
VEGFA P15692 1/20 0.46
FLT1 P17948 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46

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
SCHEMBL7827008 0.85 PLAU (0.59) GABRG2GABRB3GABRA5GABRA3ATM
SCHEMBL31418026 0.84 CYP11B1 (0.59) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL10093458 0.84 ATM (0.59) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL4592444 0.84 CYP11B1 (0.62) CYP11B1CYP11B2ATMCYP2A6ALPL
SCHEMBL9008962 0.83 CYP11B1 (0.61) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL3511154 0.83 SLC6A3 (0.55) GABRG2GABRB3GABRA5GABRA3SLC6A3
SCHEMBL6436030 0.83 CYP11B2 (0.58) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL3715051 0.83 ATM (0.69) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL4401794 0.82 RXRA (0.58) KDREGLN1
SCHEMBL4432846 0.81 CYP11B1 (0.63) CYP11B1CYP11B2ATMSLC6A3CYP2A6

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 103/4885GABRG2 2066/4885

“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.