SCHEMBL4591252

SCHEMBL4591252

Cc1nc(-c2ccc(F)cc2)ccc1COc1ccc(CSCCn2ccnn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ERBB2 P04626 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
FFAR1 O14842 3/20 0.32
MET P08581 2/20 0.32
PPARD Q03181 1/20 0.32
CYP19A1 P11511 1/20 0.31
CASP3 P42574 1/20 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
SCHEMBL4599664 0.85 ERBB2 (0.44) ATP4AATP4BNPC1RAB9ASMN1; SMN2
SCHEMBL4591853 0.79 ATP4A (0.37) ATP4AATP4BNPC1RAB9ASMN1; SMN2
SCHEMBL4599913 0.76 ERBB2 (0.42) ATP4AATP4BRAB9ASMN1; SMN2MAPT
SCHEMBL4602065 0.76 ERBB2 (0.46) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL4591317 0.76 ERBB2 (0.43) ATP4AATP4BERBB2MINK1FFAR1
SCHEMBL4602391 0.75 ATP4A (0.38) ATP4AATP4BRAB9ASMN1; SMN2MAPT
SCHEMBL4598672 0.74 ERBB2 (0.41) ATP4AATP4BMAPTERBB2MINK1
SCHEMBL4599445 0.74 ERBB2 (0.41) ATP4AATP4BERBB2MINK1FFAR1
SCHEMBL4726900 0.73 ERBB2 (0.41) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL4599925 0.71 ERBB2 (0.50) ATP4AATP4BERBB2MINK1FFAR1

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
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
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 688/4885NPC1 1228/4885

“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.