SCHEMBL4599860

SCHEMBL4599860

Cc1cc(OCc2ccc(-c3ccc(Cl)cc3)nc2C)ccc1CCCCn1ccnn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
PPARD Q03181 4/20 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
PSENEN Q9NZ42 1/20 0.34
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
ERBB2 P04626 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CCR1 P32246 2/20 0.32
CCR2 P41597 2/20 0.32
CCR4 P51679 2/20 0.32
FFAR1 O14842 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31

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
SCHEMBL4591853 0.91 ATP4A (0.37) ATP4AATP4BPPARDERBB2MINK1
SCHEMBL4780947 0.91 ATP4A (0.34) ATP4AATP4BPPARDERBB2MINK1
SCHEMBL4599913 0.89 ERBB2 (0.42) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL4600061 0.89 ERBB2 (0.45) ATP4AATP4BPPARDERBB2MINK1
SCHEMBL4599602 0.89 PPARD (0.39) ATP4AATP4BPPARDALOX5APERBB2
SCHEMBL4599334 0.88 ATP4A (0.38) ATP4AATP4BPPARDPSEN1PSEN2
SCHEMBL4599923 0.87 ATP4A (0.37) ATP4AATP4BPPARDPSEN1PSEN2
SCHEMBL4728357 0.85 ERBB2 (0.37) ATP4AATP4BPPARDALOX5APERBB2
SCHEMBL4600066 0.84 ERBB2 (0.41) ATP4AATP4BPPARDERBB2MINK1
SCHEMBL4600317 0.82 DYRK1A (0.38) ATP4AATP4BPPARDERBB2MINK1

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 ATP4A 583/4885ATP4B 688/4885PPARD 132/4885

“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.