SCHEMBL4599167

SCHEMBL4599167

Clc1ccc(-c2cccc(COc3ccc(CCCCn4ccnn4)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.39
KCNH2 Q12809 1/20 0.38
CYP19A1 P11511 2/20 0.38
FFAR1 O14842 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
DHFR P00374 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL4600401 0.88 ERBB2 (0.51) ERBB2MINK1ATP4AATP4BMRGPRX4
SCHEMBL4600267 0.88 ERBB2 (0.62) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL4599334 0.86 ATP4A (0.38) ERBB2MINK1ATP4AATP4BMRGPRX4
SCHEMBL4600213 0.83 ERBB2 (0.43) ERBB2MINK1ATP4AATP4BSMN1; SMN2
SCHEMBL4599913 0.83 ERBB2 (0.42) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL24111976 0.79 ERBB2 (0.58) ERBB2MINK1ATP4AATP4BCYP19A1
SCHEMBL28472414 0.79 MAOB (0.53) ERBB2MINK1DHFRALOX5MAOB
SCHEMBL4600302 0.78 ERBB2 (0.42) ERBB2MINK1ATP4AATP4BDHFR
SCHEMBL4592884 0.78 FFAR1 (0.38) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL6582554 0.76 HMOX1 (0.53) ERBB2MINK1ATP4AATP4BKCNH2

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 2493/4885ATP4A 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.