SCHEMBL4600331

SCHEMBL4600331

Cc1cc(CCCCn2ccnn2)ccc1OCc1ccc(-c2cccc(C(F)(F)F)c2)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
ERBB2 P04626 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
FFAR1 O14842 4/20 0.38
FFAR2 O15552 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.36
ALOX5 P09917 1/20 0.35
KDM1A O60341 1/20 0.35
TLR8 Q9NR97 1/20 0.35
GPR55 Q9Y2T6 1/20 0.34
PPARD Q03181 2/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 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
SCHEMBL4600333 0.90 DYRK1A (0.36) FFAR4ERBB2MINK1FFAR1PPARD
SCHEMBL4599925 0.90 ERBB2 (0.50) FFAR4ERBB2MINK1FFAR1ALOX5
SCHEMBL4600066 0.85 ERBB2 (0.41) FFAR4ERBB2MINK1FFAR1KDM1A
SCHEMBL4600322 0.80 ERBB2 (0.56) FFAR4ERBB2MINK1FFAR1ALOX5
SCHEMBL4600161 0.80 ERBB2 (0.43) ERBB2MINK1METATP4AATP4B
SCHEMBL4600742 0.78 ERBB2 (0.41) ERBB2MINK1FFAR1GPR55PPARD
SCHEMBL4600061 0.77 ERBB2 (0.45) FFAR4ERBB2MINK1FFAR1PPARD
SCHEMBL4592351 0.77 ERBB2 (0.51) ERBB2MINK1FFAR1ALOX5PPARD
SCHEMBL4600317 0.76 DYRK1A (0.38) FFAR4ERBB2MINK1FFAR1PPARD
SCHEMBL4599702 0.76 ERBB2 (0.51) FFAR4ERBB2MINK1FFAR1KDM1A

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 FFAR4 3080/4885ERBB2 2010/4885MINK1 2493/4885

“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.