SCHEMBL5555487

SCHEMBL5555487

Fc1cc(Cl)ccc1C=Cc1nc(COc2ncc(CCCCn3ccnn3)cn2)co1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.53
MINK1 Q8N4C8 1/20 0.53
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
RXRA P19793 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 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
SCHEMBL5555482 1.00 ERBB2 (0.53) ERBB2MINK1FGFR1FLT1FGFR2
SCHEMBL5385106 0.90 ERBB2 (0.66) ERBB2MINK1FGFR1FLT1FGFR2
SCHEMBL5385109 0.90 ERBB2 (0.66) ERBB2MINK1FGFR1FLT1FGFR2
SCHEMBL5557888 0.89 ERBB2 (0.64) ERBB2MINK1RXRAGRIN1GRIN2B
SCHEMBL5557895 0.89 ERBB2 (0.64) ERBB2MINK1RXRAGRIN1GRIN2B
SCHEMBL5562245 0.85 ERBB2 (0.49) ERBB2MINK1FGFR1FLT1FGFR2
SCHEMBL5562249 0.85 ERBB2 (0.49) ERBB2MINK1FGFR1FLT1FGFR2
SCHEMBL5562942 0.85 ERBB2 (0.43) ERBB2MINK1FGFR1FLT1FGFR2
SCHEMBL5558261 0.82 ERBB2 (0.48) ERBB2MINK1FGFR1FLT1FGFR2
SCHEMBL5558266 0.82 ERBB2 (0.48) ERBB2MINK1FGFR1FLT1FGFR2

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-1758897-A1 NOVEL DIAZINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-07 EP claimed
US-7179812-B2 Diazine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-20 US claimed
WO-2005097785-A1 NOVEL DIAZINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-20 WO claimed
US-20050222228-A1 Novel diazine derivatives HOFFMANN-LA ROCHE INC. 2005-10-06 US claimed
CN-1934106-A Novel diazine derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-21 CN 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 (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-20050222228-A1 Novel diazine derivatives BRCA1, SLC5A1, PDHA1 ERBB2 1298/4885MINK1 749/4885FGFR1 2419/4885

“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.