SCHEMBL4601327

SCHEMBL4601327

FC(F)(F)c1ccc(-c2cncc(COc3ccc(CCCCn4ccnn4)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.56
MINK1 Q8N4C8 1/20 0.56
HMOX1 P09601 1/20 0.47
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
MAOB P27338 4/20 0.39
FFAR1 O14842 3/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NOS1 P29475 3/20 0.39
PPARG P37231 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36

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
SCHEMBL4592281 0.91 ERBB2 (0.46) ERBB2MINK1HMOX1PPARDFFAR1
SCHEMBL4599523 0.89 ERBB2 (0.45) ERBB2MINK1HMOX1PPARDPPARA
SCHEMBL4600302 0.88 ERBB2 (0.42) ERBB2MINK1MAOBCYP11B1CYP11B2
SCHEMBL5005698 0.85 ERBB2 (0.58) ERBB2MINK1HMOX1MAOBFFAR1
SCHEMBL4591640 0.85 ERBB2 (0.62) ERBB2MINK1HMOX1MAOBFFAR1
SCHEMBL4602840 0.84 ERBB2 (0.57) ERBB2MINK1HMOX1PPARDPPARA
SCHEMBL4600170 0.82 ERBB2 (0.46) ERBB2MINK1HMOX1PPARDPPARA
SCHEMBL28478241 0.82 ERBB2 (0.76) ERBB2MINK1HMOX1PPARAMAOB
SCHEMBL22398050 0.82 ERBB2 (0.76) ERBB2MINK1HMOX1PPARAMAOB
SCHEMBL4600209 0.80 PRMT6 (0.41) ERBB2MINK1PPARDPPARAFFAR1

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 8 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
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 2493/4885HMOX1 1397/4885

“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.