SCHEMBL4600629

SCHEMBL4600629

Cc1cc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)n2)ccc1CCCCn1ccnn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
PPARD Q03181 9/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
SCN9A Q15858 2/20 0.36
TRPV3 Q8NET8 2/20 0.34
GSTP1 P09211 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL4600359 0.92 PPARD (0.42) ERBB2MINK1PPARDPPARAATP4A
SCHEMBL4599334 0.89 ATP4A (0.38) ERBB2MINK1PPARDATP4AATP4B
SCHEMBL4600061 0.88 ERBB2 (0.45) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4600170 0.87 ERBB2 (0.46) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4600267 0.86 ERBB2 (0.62) ERBB2MINK1ATP4AATP4BSCN9A
SCHEMBL4600225 0.86 ERBB2 (0.47) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4592884 0.85 FFAR1 (0.38) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4599956 0.85 ERBB2 (0.45) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4599907 0.84 ERBB2 (0.46) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4600066 0.84 ERBB2 (0.41) ERBB2MINK1PPARDPPARGPPARA

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 2493/4885PPARD 132/4885

“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.