SCHEMBL4600317

SCHEMBL4600317

Cc1cc(OCc2ccc(-c3cccc(OC(F)(F)F)c3)nc2C)ccc1CCCCn1ccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.38
CLK2 P49760 1/20 0.38
HASPIN Q8TF76 1/20 0.38
ERBB2 P04626 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
MET P08581 1/20 0.34
GLS O94925 1/20 0.34
PPARD Q03181 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
XDH P47989 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL4599602 0.92 PPARD (0.39) ERBB2MINK1ATP4AATP4BPPARD
SCHEMBL4600161 0.91 ERBB2 (0.43) DYRK1ACLK2HASPINERBB2MINK1
SCHEMBL4600066 0.90 ERBB2 (0.41) ERBB2MINK1ATP4AATP4BPPARD
SCHEMBL4600333 0.87 DYRK1A (0.36) DYRK1ACLK2HASPINERBB2MINK1
SCHEMBL4600061 0.85 ERBB2 (0.45) ERBB2MINK1ATP4AATP4BPPARD
SCHEMBL4591853 0.84 ATP4A (0.37) ERBB2MINK1ATP4AATP4BPPARD
SCHEMBL4600359 0.84 PPARD (0.42) ERBB2MINK1ATP4AATP4BPPARD
SCHEMBL4728357 0.83 ERBB2 (0.37) ERBB2MINK1ATP4AATP4BPPARD
SCHEMBL4599860 0.82 ATP4A (0.37) ERBB2MINK1ATP4AATP4BPPARD
SCHEMBL4602065 0.82 ERBB2 (0.46) ERBB2MINK1ATP4AATP4BPPARD

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 5 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 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.