SCHEMBL4602065

SCHEMBL4602065

Cc1nc(-c2ccc(OC(F)(F)F)cc2)ccc1COc1ccc(CCCCn2ccnn2)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
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SCN5A Q14524 2/20 0.36
PTGER4 P35408 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
GRM2 Q14416 1/20 0.34
RXRA P19793 3/20 0.33
NR1H2 P55055 3/20 0.33
PPARD Q03181 2/20 0.33
THRB P10828 1/20 0.33
NR1H3 Q13133 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
SCHEMBL4600322 0.91 ERBB2 (0.56) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4600161 0.91 ERBB2 (0.43) ERBB2MINK1ATP4AATP4BCYP19A1
SCHEMBL4599664 0.90 ERBB2 (0.44) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4599602 0.90 PPARD (0.39) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4599913 0.88 ERBB2 (0.42) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4780494 0.87 ERBB2 (0.46) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4599925 0.85 ERBB2 (0.50) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4726900 0.84 ERBB2 (0.41) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4600401 0.84 ERBB2 (0.51) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL5002019 0.82 ERBB2 (0.47) ERBB2MINK1ATP4AATP4BFFAR1

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
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 2493/4885ATP4A 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.