SCHEMBL7127863

SCHEMBL7127863

O=C(O)C=Cc1ccc2c(Nc3ccc4[nH]ccc4c3)ncnc2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.57
ERBB2 P04626 1/20 0.51
FLT1 P17948 8/20 0.51
KDR P35968 2/20 0.48
RET P07949 1/20 0.45
CSNK2A1 P68400 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL7127191 0.92 EGFR (0.65) EGFRERBB2FLT1KDRRET
SCHEMBL7126660 0.85 FBP1 (0.45) EGFRERBB2ABCG2ABCB1
SCHEMBL7124620 0.79 EGFR (0.79) EGFRERBB2FLT1
SCHEMBL7124627 0.79 EGFR (0.79) EGFRERBB2FLT1
SCHEMBL7127858 0.79 EGFR (0.58) EGFRERBB2FLT1KDRRET
SCHEMBL7118108 0.79 EGFR (0.85) EGFRERBB2
SCHEMBL7125754 0.78 EGFR (0.62) EGFRERBB2FLT1
SCHEMBL31514622 0.77 EGFR (0.69) EGFRERBB2FLT1KDRRET
SCHEMBL7241075 0.77 KDR (0.61) EGFRERBB2KDRABCG2ABCB1
SCHEMBL7124577 0.77 EGFR (0.61) EGFRERBB2FLT1KDRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US disclosed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885FLT1 73/4885

“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.