SCHEMBL7128129

SCHEMBL7128129

O=C(C=CC(=O)Nc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cn1)NCCCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.72
ERBB2 P04626 10/20 0.72
ERBB4 Q15303 5/20 0.55
JAK3 P52333 2/20 0.55

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
SCHEMBL7127882 0.91 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL7120082 0.90 EGFR (0.58) EGFRERBB2ERBB4JAK3
SCHEMBL7126298 0.88 EGFR (0.58) EGFRERBB2ERBB4JAK3
SCHEMBL7126292 0.88 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL7124156 0.86 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL7127172 0.85 EGFR (0.75) EGFRERBB2ERBB4JAK3
SCHEMBL7125757 0.84 EGFR (0.65) EGFRERBB2ERBB4JAK3
SCHEMBL7127854 0.84 EGFR (0.66) EGFRERBB2ERBB4JAK3
SCHEMBL16922695 0.84 EGFR (0.66) EGFRERBB2ERBB4JAK3
SCHEMBL7126674 0.84 EGFR (0.70) EGFRERBB2ERBB4JAK3

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 1/4885ERBB4 13/4885

“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.