SCHEMBL4600267

SCHEMBL4600267

FC(F)(F)c1ccc(-c2cccc(COc3ccc(CCCCn4ccnn4)cc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.62
MINK1 Q8N4C8 1/20 0.62
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
HMOX1 P09601 1/20 0.42
SCN9A Q15858 5/20 0.39
NOS1 P29475 2/20 0.38
MAOB P27338 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL4600401 0.91 ERBB2 (0.51) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4599167 0.88 ERBB2 (0.47) ERBB2MINK1ATP4AATP4BMAOB
SCHEMBL4600629 0.86 ERBB2 (0.48) ERBB2MINK1ATP4AATP4BSCN9A
SCHEMBL4591640 0.84 ERBB2 (0.62) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5005698 0.84 ERBB2 (0.58) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL4600322 0.84 ERBB2 (0.56) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL4602840 0.83 ERBB2 (0.57) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL4600170 0.83 ERBB2 (0.46) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL22398104 0.83 ERBB2 (0.73) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL28999178 0.80 ERBB2 (0.74) ERBB2MINK1ATP4AATP4BHMOX1

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 2493/4885ATP4A 583/4885

“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.