SCHEMBL4600209

SCHEMBL4600209

Cc1cc(OCc2cncc(-c3ccc(OC(F)(F)F)cc3)c2)ccc1CCCCn1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.41
PPARD Q03181 9/20 0.40
ERBB2 P04626 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
SCN9A Q15858 1/20 0.35
PTGER4 P35408 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
FFAR1 O14842 1/20 0.34
CYP19A1 P11511 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
ALOX5AP P20292 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL4599523 0.92 ERBB2 (0.45) PPARDERBB2MINK1CYP11B1CYP11B2
SCHEMBL4592031 0.89 PPARD (0.38) PPARDERBB2MINK1PTGER4CYP11B1
SCHEMBL4592281 0.89 ERBB2 (0.46) PRMT6PPARDERBB2MINK1SCN9A
SCHEMBL4600099 0.87 ERBB2 (0.38) PPARDERBB2MINK1PTGER4CYP11B1
SCHEMBL4629957 0.86 PPARD (0.38) PPARDERBB2MINK1PTGER4FFAR1
SCHEMBL4600170 0.86 ERBB2 (0.46) PRMT6PPARDERBB2MINK1CYP11B1
SCHEMBL4599604 0.83 GRM5 (0.38) ERBB2MINK1CYP11B1CYP11B2FFAR1
SCHEMBL4599602 0.83 PPARD (0.39) PPARDERBB2MINK1PTGER4FFAR1
SCHEMBL4600359 0.82 PPARD (0.42) PPARDERBB2MINK1FFAR1SCN10A
SCHEMBL4601327 0.80 ERBB2 (0.56) PPARDERBB2MINK1CYP11B1CYP11B2

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 PRMT6 1357/4885PPARD 132/4885ERBB2 2010/4885

“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.