SCHEMBL4600333

SCHEMBL4600333

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.36
CLK2 P49760 1/20 0.36
HASPIN Q8TF76 1/20 0.36
ERBB2 P04626 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
MET P08581 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
S1PR1 P21453 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
FFAR4 Q5NUL3 3/20 0.33
FFAR1 O14842 2/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GLS O94925 1/20 0.33
PPARD Q03181 2/20 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
SCHEMBL4600161 0.91 ERBB2 (0.43) DYRK1ACLK2HASPINERBB2MINK1
SCHEMBL4600331 0.90 FFAR4 (0.41) ERBB2MINK1METFFAR4FFAR1
SCHEMBL4600317 0.87 DYRK1A (0.38) DYRK1ACLK2HASPINERBB2MINK1
SCHEMBL4602065 0.81 ERBB2 (0.46) ERBB2MINK1FFAR4FFAR1ATP4A
SCHEMBL4599925 0.81 ERBB2 (0.50) ERBB2MINK1FFAR4FFAR1ATP4A
SCHEMBL4599602 0.79 PPARD (0.39) ERBB2MINK1FFAR4FFAR1ATP4A
SCHEMBL4600066 0.77 ERBB2 (0.41) ERBB2MINK1S1PR1FFAR4FFAR1
SCHEMBL4600322 0.75 ERBB2 (0.56) ERBB2MINK1FFAR4FFAR1ATP4A
SCHEMBL4599664 0.74 ERBB2 (0.44) ERBB2MINK1FFAR4FFAR1ATP4A
SCHEMBL4780494 0.73 ERBB2 (0.46) ERBB2MINK1FFAR4FFAR1ATP4A

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 DYRK1A 3749/4885CLK2 2804/4885HASPIN 2821/4885

“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.