SCHEMBL4592281

SCHEMBL4592281

FC(F)(F)Oc1ccc(-c2cncc(COc3ccc(CCCCn4ccnn4)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
PRMT6 Q96LA8 1/20 0.42
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP19A1 P11511 3/20 0.38
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
HMOX1 P09601 1/20 0.36
SCN9A Q15858 1/20 0.36
PPARD Q03181 2/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GRM2 Q14416 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
CHRM5 P08912 2/20 0.33
SCN5A Q14524 1/20 0.33
PTGER4 P35408 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL4601327 0.91 ERBB2 (0.56) ERBB2MINK1CYP11B1CYP11B2ATP4A
SCHEMBL4600209 0.89 PRMT6 (0.41) ERBB2MINK1PRMT6CYP11B1CYP11B2
SCHEMBL4600302 0.88 ERBB2 (0.42) ERBB2MINK1CYP11B1CYP11B2ATP4A
SCHEMBL5002019 0.84 ERBB2 (0.47) ERBB2MINK1CYP11B1CYP11B2CYP19A1
SCHEMBL4600170 0.82 ERBB2 (0.46) ERBB2MINK1PRMT6CYP11B1CYP11B2
SCHEMBL4599523 0.80 ERBB2 (0.45) ERBB2MINK1CYP11B1CYP11B2HMOX1
SCHEMBL4600401 0.79 ERBB2 (0.51) ERBB2MINK1CYP11B1CYP11B2CYP19A1
SCHEMBL4602065 0.78 ERBB2 (0.46) ERBB2MINK1CYP11B1CYP11B2CYP19A1
SCHEMBL4600099 0.77 ERBB2 (0.38) ERBB2MINK1CYP11B1CYP11B2CYP19A1
SCHEMBL4592031 0.76 PPARD (0.38) ERBB2MINK1CYP11B1CYP11B2CYP19A1

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 10 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 claimed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN claimed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP claimed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 US claimed
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 ERBB2 2010/4885MINK1 2493/4885PRMT6 1357/4885

“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.