SCHEMBL4599702

SCHEMBL4599702

FC(F)(F)c1cccc(-c2ccc(COc3ccc(CCCCn4ccnn4)cc3)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
MAOB P27338 6/20 0.41
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
HMOX1 P09601 1/20 0.39
GPR55 Q9Y2T6 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
CXCR1 P25024 1/20 0.36
KDM1A O60341 1/20 0.36
NR4A2 P43354 1/20 0.35
GPR34 Q9UPC5 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL4600742 0.89 ERBB2 (0.41) ERBB2MINK1MAOBFFAR1ATP4A
SCHEMBL5005698 0.89 ERBB2 (0.58) ERBB2MINK1MAOBFFAR1FFAR4
SCHEMBL4599925 0.86 ERBB2 (0.50) ERBB2MINK1MAOBFFAR1FFAR4
SCHEMBL26316726 0.80 RAB9A (0.46) ERBB2MINK1FFAR1FFAR4ATP4A
SCHEMBL4600213 0.80 ERBB2 (0.43) ERBB2MINK1MAOBATP4AATP4B
SCHEMBL4599907 0.79 ERBB2 (0.46) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL4602840 0.79 ERBB2 (0.57) ERBB2MINK1MAOBFFAR1ATP4A
SCHEMBL4601327 0.78 ERBB2 (0.56) ERBB2MINK1MAOBFFAR1ATP4A
SCHEMBL4600267 0.78 ERBB2 (0.62) ERBB2MINK1MAOBFFAR1FFAR4
SCHEMBL4600066 0.77 ERBB2 (0.41) ERBB2MINK1MAOBFFAR1FFAR4

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 2493/4885MAOB 211/4885

“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.