SCHEMBL4600742

SCHEMBL4600742

Cc1cc(OCc2ccc(-c3cccc(C(F)(F)F)c3)nc2)ccc1CCCCn1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PRKD3 O94806 1/20 0.39
S1PR1 P21453 1/20 0.39
CDK7 P50613 1/20 0.39
JAK3 P52333 1/20 0.39
TNK2 Q07912 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PPARD Q03181 2/20 0.36
GPR55 Q9Y2T6 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
MAOB P27338 3/20 0.34
FFAR1 O14842 2/20 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
SCHEMBL4599907 0.91 ERBB2 (0.46) ERBB2MINK1PRKD3S1PR1CDK7
SCHEMBL4599702 0.89 ERBB2 (0.51) ERBB2MINK1GPR55KDRTEK
SCHEMBL4600066 0.89 ERBB2 (0.41) ERBB2MINK1PRKD3S1PR1CDK7
SCHEMBL4600099 0.86 ERBB2 (0.38) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4599923 0.83 ATP4A (0.37) ERBB2MINK1PPARDATP4AATP4B
SCHEMBL4599925 0.83 ERBB2 (0.50) ERBB2MINK1GPR55KDRTEK
SCHEMBL4599523 0.80 ERBB2 (0.45) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4600061 0.80 ERBB2 (0.45) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4599956 0.80 ERBB2 (0.45) ERBB2MINK1PRKD3S1PR1CDK7
SCHEMBL4600317 0.79 DYRK1A (0.38) ERBB2MINK1PPARDATP4AATP4B

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
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
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 2493/4885PRKD3 1766/4885

“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.