SCHEMBL10108265

SCHEMBL10108265

COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1NC(=O)/C=C/CN(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.72
▸ ERBB2 P04626 16/20 0.71
▸ ERBB4 Q15303 7/20 0.70
▸ JAK3 P52333 2/20 0.70
▸ SRC P12931 3/20 0.65
▸ GAK O14976 2/20 0.65
▸ RIPK2 O43353 2/20 0.65
▸ LCK P06239 2/20 0.65
▸ MC3R P41968 2/20 0.65
▸ SLC6A3 Q01959 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ ABL1 P00519 2/20 0.65
▸ FLT3 P36888 2/20 0.65
▸ CIT O14578 1/20 0.65
▸ EPHB6 O15197 1/20 0.65
▸ STK10 O94804 1/20 0.65
▸ LYN P07948 1/20 0.65
▸ RET P07949 1/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ MET P08581 1/20 0.65

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
SCHEMBL867638 0.91 EGFR (0.85) EGFRERBB2ERBB4JAK3SRC
SCHEMBL867639 0.91 EGFR (0.85) EGFRERBB2ERBB4JAK3SRC
SCHEMBL15781191 0.88 EGFR (0.67) EGFRERBB2ERBB4JAK3SRC
SCHEMBL15929516 0.87 EGFR (0.86) EGFRERBB2ERBB4JAK3SRC
SCHEMBL9883170 0.87 EGFR (0.86) EGFRERBB2ERBB4SRCGAK
SCHEMBL15781192 0.86 EGFR (0.66) EGFRERBB2ERBB4JAK3SRC
SCHEMBL15781173 0.86 EGFR (0.82) EGFRERBB2ERBB4JAK3SRC
SCHEMBL15391410 0.86 EGFR (0.67) EGFRERBB2ERBB4JAK3
SCHEMBL15391412 0.86 EGFR (0.67) EGFRERBB2ERBB4JAK3
SCHEMBL15781171 0.85 EGFR (0.71) EGFRERBB2ERBB4JAK3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 — — 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 48/4885ERBB2 7/4885ERBB4 17/4885

“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.

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