SCHEMBL5559280

SCHEMBL5559280

[O-][S+](c1ccc(/C=C/c2nc(CNc3ccc(CCCCn4ccnn4)cc3)co2)cc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.58
MINK1 Q8N4C8 1/20 0.58

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
SCHEMBL5559285 1.00 ERBB2 (0.58) ERBB2MINK1
SCHEMBL5557699 0.88 ERBB2 (0.48) ERBB2MINK1
SCHEMBL5557696 0.88 ERBB2 (0.48) ERBB2MINK1
SCHEMBL5558293 0.88 ERBB2 (0.74) ERBB2MINK1
SCHEMBL5558296 0.88 ERBB2 (0.74) ERBB2MINK1
SCHEMBL5045287 0.86 ERBB2 (0.79) ERBB2MINK1
SCHEMBL5045316 0.86 ERBB2 (0.79) ERBB2MINK1
SCHEMBL5041172 0.86 ERBB2 (0.58) ERBB2MINK1
SCHEMBL5041171 0.86 ERBB2 (0.58) ERBB2MINK1
SCHEMBL5557732 0.86 ERBB2 (0.66) ERBB2MINK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP claimed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP claimed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US claimed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO claimed
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO 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-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 ERBB2 1/4885MINK1 816/4885

“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.