SCHEMBL7128540

SCHEMBL7128540

O=C(C=CC(=O)OCCCN1CCOCC1)Nc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.50
ERBB2 P04626 6/20 0.42
EPHX2 P34913 3/20 0.42
KDR P35968 5/20 0.41
ERBB4 Q15303 3/20 0.41
KIT P10721 2/20 0.41
SRC P12931 2/20 0.41
ERBB3 P21860 2/20 0.41
MET P08581 2/20 0.41
BMPR1B O00238 1/20 0.41
CIT O14578 1/20 0.41
MAP2K7 O14733 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
STK17B O94768 1/20 0.41
STK10 O94804 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL7128733 0.90 EGFR (0.51) EGFRERBB2KDRERBB4KIT
SCHEMBL7128979 0.89 EGFR (0.53) EGFRERBB2ERBB4MEN1LMNA
SCHEMBL7128164 0.86 EGFR (0.55) EGFRERBB2MKNK1MKNK2
SCHEMBL7128169 0.86 EGFR (0.55) EGFRERBB2MKNK1MKNK2
SCHEMBL7118097 0.85 EGFR (0.49) EGFRERBB2EPHX2ERBB4JAK3
SCHEMBL7118103 0.85 EGFR (0.49) EGFRERBB2EPHX2ERBB4JAK3
SCHEMBL7118735 0.85 EGFR (0.51) EGFRERBB2EPHX2KDRERBB4
SCHEMBL7120448 0.85 EGFR (0.57) EGFRERBB2MEN1LMNAMAPT
SCHEMBL7120450 0.85 EGFR (0.57) EGFRERBB2MEN1LMNAMAPT
SCHEMBL7127832 0.81 EGFR (0.63) EGFRMEN1MAPTKMT2ASMN1; SMN2

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 5 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

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 1/4885EPHX2 1013/4885

“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.