SCHEMBL6906898

SCHEMBL6906898

C=CC(=O)NCc1ccc2c(Nc3cccc(Br)c3)ncnc2c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.71
ERBB2 P04626 3/20 0.71
FYN P06241 1/20 0.63
SRC P12931 1/20 0.63
BLK P51451 1/20 0.63
BMX P51813 1/20 0.63
JAK3 P52333 1/20 0.63
BTK Q06187 1/20 0.63
ERBB4 Q15303 1/20 0.63
ABCG2 Q9UNQ0 1/20 0.57
EPHB2 P29323 1/20 0.54

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
SCHEMBL6907606 0.92 EGFR (0.71) EGFRERBB2FYNSRCBLK
SCHEMBL2996153 0.83 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL4187418 0.78 EGFR (0.69) EGFRERBB2FYNSRCBLK
SCHEMBL2986573 0.78 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2995335 0.78 EGFR (0.80) EGFRERBB2FYNSRCBLK
SCHEMBL29359583 0.77 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2680536 0.77 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2996888 0.76 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL28762018 0.75 EGFR (0.88) EGFRERBB2FYNSRCBLK
SCHEMBL29717476 0.75 EGFR (0.88) 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 5 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
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ELDER JAMES T (US) 2004-10-07 US disclosed
US-20020169176-A1 Method for inhibiting retinoid skin damage ELDER JAMES T (US) 2002-11-14 US disclosed
EP-1230919-A2 Use of a composition comprising a retinoid and an erb inhibitor in the preparation of a medicament for the treatment of retinoid skin damage WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 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 (3 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-20020169176-A1 Method for inhibiting retinoid skin damage RARB, EBP, RXRA EGFR 47/4885ERBB2 183/4885FYN 4191/4885
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA EGFR 1/4885ERBB2 23/4885FYN 3319/4885
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.