SCHEMBL4477758

SCHEMBL4477758

CCOc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OCC

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.77
KDR P35968 5/20 0.76
GAK O14976 1/20 0.76
RIPK2 O43353 1/20 0.76
STK10 O94804 1/20 0.76
RET P07949 1/20 0.76
FLT3 P36888 1/20 0.76
JAK3 P52333 1/20 0.76
AAK1 Q2M2I8 1/20 0.76
Q6ZSR9 Q6ZSR9 1/20 0.76
SLK Q9H2G2 1/20 0.76
IRAK4 Q9NWZ3 1/20 0.76
RPS6KA6 Q9UK32 1/20 0.76
ALK Q9UM73 1/20 0.76
LCK P06239 2/20 0.74
FBP1 P09467 6/20 0.65
ERBB2 P04626 2/20 0.63
ERBB4 Q15303 2/20 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
Whi-P131 SCHEMBL29369589 0.86 EGFR (1.00) EGFRKDRGAKRIPK2STK10
Whi-P131 SCHEMBL29295 0.86 EGFR (1.00) EGFRKDRGAKRIPK2STK10
SCHEMBL5565577 0.86 FGFR1 (0.78) EGFRKDRRETFBP1ERBB2
SCHEMBL16660323 0.86 EGFR (0.77) EGFRKDRGAKRIPK2STK10
Whi-P131 SCHEMBL6068752 0.85 EGFR (1.00) EGFRKDRGAKRIPK2STK10
SCHEMBL4469673 0.84 JAK3 (0.79) EGFRKDRRETJAK3FBP1
SCHEMBL13604740 0.83 EGFR (0.66) EGFRKDRRETLCKFBP1
SCHEMBL14979614 0.83 EGFR (0.71) EGFRKDRRETFBP1ERBB2
SCHEMBL20792806 0.83 EGFR (0.87) EGFRKDRGAKRIPK2STK10
SCHEMBL13604741 0.82 EGFR (0.85) EGFRKDRRIPK2RETLCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US disclosed
US-20060276514-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2006-12-07 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-20060276514-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 EGFR 31/4885KDR 128/4885GAK 541/4885

“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.