SCHEMBL4602840

SCHEMBL4602840

FC(F)(F)c1ccc(-c2cc(COc3ccc(CCCCn4ccnn4)cc3)ccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.57
MINK1 Q8N4C8 1/20 0.57
HMOX1 P09601 1/20 0.45
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
MAOB P27338 5/20 0.40
FFAR1 O14842 2/20 0.37
NOS1 P29475 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALOX5 P09917 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ADAM17 P78536 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
SCHEMBL5002019 0.91 ERBB2 (0.47) ERBB2MINK1HMOX1ATP4AATP4B
SCHEMBL4599956 0.88 ERBB2 (0.45) ERBB2MINK1HMOX1ATP4AATP4B
SCHEMBL5005698 0.88 ERBB2 (0.58) ERBB2MINK1HMOX1ATP4AATP4B
SCHEMBL4601327 0.84 ERBB2 (0.56) ERBB2MINK1HMOX1ATP4AATP4B
SCHEMBL4600267 0.83 ERBB2 (0.62) ERBB2MINK1HMOX1ATP4AATP4B
SCHEMBL22398050 0.82 ERBB2 (0.76) ERBB2MINK1HMOX1MAOBNOS1
SCHEMBL28478241 0.82 ERBB2 (0.76) ERBB2MINK1HMOX1MAOBNOS1
SCHEMBL4591640 0.82 ERBB2 (0.62) ERBB2MINK1HMOX1ATP4AATP4B
SCHEMBL4600322 0.82 ERBB2 (0.56) ERBB2MINK1HMOX1ATP4AATP4B
SCHEMBL24111989 0.81 ERBB2 (0.68) ERBB2MINK1HMOX1MAOBFFAR1

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 5 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 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 2493/4885HMOX1 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.