SCHEMBL7058784

SCHEMBL7058784

O=C(O)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.80
ERBB2 P04626 13/20 0.78
FYN P06241 1/20 0.72
SRC P12931 1/20 0.72
BLK P51451 1/20 0.72
BMX P51813 1/20 0.72
JAK3 P52333 1/20 0.72
BTK Q06187 1/20 0.72
ERBB4 Q15303 1/20 0.72

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
SCHEMBL1418066 0.90 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL30115309 0.90 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL1418064 0.90 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL16882294 0.89 EGFR (0.82) EGFRERBB2FYNSRCBLK
SCHEMBL1417861 0.88 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL6586413 0.88 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL1417862 0.88 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL4187384 0.88 EGFR (0.77) EGFRERBB2ERBB4
SCHEMBL867889 0.88 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL867890 0.88 EGFR (1.00) EGFRERBB2FYNSRCBLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US claimed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO claimed

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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885FYN 15/4885

“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.