SCHEMBL4154802

SCHEMBL4154802

OCc1coc(/C=C/c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.49
MINK1 Q8N4C8 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL4154806 1.00 ERBB2 (0.49) ERBB2MINK1BCHEACHEBACE1
SCHEMBL4506953 0.87 ERBB2 (0.49) ERBB2MINK1
SCHEMBL4506956 0.87 ERBB2 (0.49) ERBB2MINK1
SCHEMBL3075346 0.82 ERBB2 (0.67) ERBB2
SCHEMBL3075344 0.82 ERBB2 (0.67) ERBB2
SCHEMBL5557716 0.78 PIM1 (0.41) ERBB2BCHEACHEBACE1
SCHEMBL5557711 0.78 PIM1 (0.41) ERBB2BCHEACHEBACE1
SCHEMBL4159387 0.77 ERBB2 (0.55) ERBB2
SCHEMBL4159385 0.77 ERBB2 (0.55) ERBB2
SCHEMBL5761845 0.77 ERBB2 (0.53) ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093491-A1 Diazine Azole Derivatives, Their Manufacture and Use as Pharmaceutical JENNI WOLFGANG 2009-04-09 US disclosed
EP-1934210-A1 DIAZINE AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039226-A1 DIAZINE AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
EP-1758897-A1 NOVEL DIAZINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-07 EP disclosed
US-7179812-B2 Diazine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-20 US disclosed
WO-2005097785-A1 NOVEL DIAZINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-20 WO disclosed
US-20050222228-A1 Novel diazine derivatives HOFFMANN-LA ROCHE INC. 2005-10-06 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 (2 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-20050222228-A1 Novel diazine derivatives BRCA1, SLC5A1, PDHA1 ERBB2 1298/4885MINK1 749/4885BCHE 443/4885
US-20090093491-A1 Diazine Azole Derivatives, Their Manufacture and Use as Pharmaceutical CYP3A5, CYP3A7, CYP3A43 ERBB2 1997/4885MINK1 807/4885BCHE 427/4885

“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.