SCHEMBL4600302

SCHEMBL4600302

Clc1ccc(-c2cncc(COc3ccc(CCCCn4ccnn4)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
MAOB P27338 2/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
DHFR P00374 1/20 0.35
ADAMTS5 Q9UNA0 2/20 0.35
GRM2 Q14416 1/20 0.35
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 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
SCHEMBL4592031 0.88 PPARD (0.38) ERBB2MINK1ATP4AATP4BCYP11B1
SCHEMBL4601327 0.88 ERBB2 (0.56) ERBB2MINK1ATP4AATP4BMAOB
SCHEMBL4592281 0.88 ERBB2 (0.46) ERBB2MINK1ATP4AATP4BCYP11B1
SCHEMBL4600213 0.84 ERBB2 (0.43) ERBB2MINK1ATP4AATP4BMAOB
SCHEMBL28472414 0.79 MAOB (0.53) ERBB2MINK1MAOBDHFR
SCHEMBL4599604 0.78 GRM5 (0.38) ERBB2MINK1ATP4AATP4BMAOB
SCHEMBL4599167 0.78 ERBB2 (0.47) ERBB2MINK1ATP4AATP4BMAOB
SCHEMBL4600209 0.77 PRMT6 (0.41) ERBB2MINK1ATP4AATP4BCYP11B1
SCHEMBL4599523 0.77 ERBB2 (0.45) ERBB2MINK1CYP11B1CYP11B2CHRNB1
SCHEMBL6582554 0.76 HMOX1 (0.53) ERBB2MINK1ATP4AATP4B

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.