SCHEMBL7122834

SCHEMBL7122834

NC(=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.70
ERBB2 P04626 6/20 0.70
KDM4E B2RXH2 1/20 0.67
ERBB4 Q15303 3/20 0.63
ABCG2 Q9UNQ0 2/20 0.63
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
AURKA O14965 1/20 0.63
RPS6KB1 P23443 1/20 0.63

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
SCHEMBL27522925 0.91 EGFR (0.70) EGFRERBB2ABCG2AURKARPS6KB1
SCHEMBL7161985 0.89 EGFR (0.64) EGFRERBB2KDM4EERBB4ABCG2
SCHEMBL6273052 0.88 EGFR (0.70) EGFRERBB2KDM4EERBB4ABCG2
SCHEMBL30512 0.86 EGFR (0.66) EGFRERBB2KDM4EABCG2FYN
SCHEMBL2990711 0.85 EGFR (0.72) EGFRERBB2KDM4EERBB4FYN
SCHEMBL8430952 0.84 KDM4E (0.60) EGFRERBB2KDM4EERBB4FYN
SCHEMBL8430944 0.84 KDM4E (0.60) EGFRERBB2KDM4EERBB4FYN
SCHEMBL8434635 0.84 KDM4E (0.60) EGFRERBB2KDM4EERBB4FYN
SCHEMBL31060998 0.82 EGFR (1.00) EGFRERBB2ABCG2
SCHEMBL1417740 0.82 EGFR (1.00) EGFRERBB2ABCG2

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 4 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
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN claimed
CN-1194692-C Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2005-03-30 CN disclosed
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN 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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885KDM4E 1132/4885

“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.