SCHEMBL4592087

SCHEMBL4592087

FC(F)(F)Oc1ccc(-c2cncc(CCl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.61
SCN10A Q9Y5Y9 1/20 0.45
CHRM5 P08912 4/20 0.43
SCN5A Q14524 2/20 0.43
PIP4K2A P48426 1/20 0.43
ABL1 P00519 4/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
AKT1 P31749 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPY5R Q15761 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL4592299 0.85 PRMT6 (0.61) PRMT6SCN10ACHRM5SCN5APIP4K2A
SCHEMBL3602312 0.80 ALDH1A1 (0.47) CHRM5SCN5A
SCHEMBL7393685 0.80 CYP11B1 (0.56) PRMT6CYP11B1CYP11B2
SCHEMBL4591289 0.80 KIF11 (0.48) PRMT6CYP11B1CYP11B2AKT1CA12
SCHEMBL21377112 0.78 PRMT6 (0.54) PRMT6SCN10ACHRM5PIP4K2AABL1
SCHEMBL4197241 0.77 DRD2 (0.52) SCN10ACYP11B1CYP11B2
SCHEMBL1230338 0.76 CYP11B1 (0.53) PRMT6SCN10ASCN5APIP4K2AABL1
SCHEMBL4591849 0.75 MAP4K4 (0.49) SCN10ACYP11B1CYP11B2
SCHEMBL1008825 0.74 ALDH1A1 (0.51) CHRM5
SCHEMBL3997703 0.74 AKR1C2 (0.50) SCN5A

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 PRMT6 1357/4885SCN10A 1868/4885CHRM5 1018/4885

“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.