SCHEMBL7126243

SCHEMBL7126243

C=CC(=O)Nc1ccc2c(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)ncnc2c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.62
ERBB2 P04626 10/20 0.61
FYN P06241 4/20 0.56
SRC P12931 4/20 0.56
VCP P55072 1/20 0.54
ERBB4 Q15303 1/20 0.51

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
SCHEMBL7126252 0.94 ERBB2 (0.70) EGFRERBB2FYNSRCVCP
SCHEMBL7119435 0.94 FYN (0.66) EGFRERBB2FYNSRCVCP
SCHEMBL7119441 0.89 ERBB2 (0.70) EGFRERBB2FYNSRCVCP
SCHEMBL8558469 0.83 ERBB2 (0.85) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL8893639 0.82 ERBB2 (0.84) EGFRERBB2ERBB4
SCHEMBL5928094 0.81 SRC (0.82) EGFRERBB2FYNSRCVCP
SCHEMBL7243934 0.79 EGFR (0.85) EGFRERBB2FYNSRCVCP
SCHEMBL7118108 0.78 EGFR (0.85) EGFRERBB2FYNSRCVCP
SCHEMBL7124280 0.77 EGFR (0.73) EGFRERBB2FYNSRCVCP
SCHEMBL2994207 0.77 EGFR (1.00) EGFRERBB2FYNSRCVCP

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 1/4885FYN 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.