SCHEMBL29945003

SCHEMBL29945003

Nc1cc2c(Nc3cc(Cl)c(OCc4cccc(F)c4)cc3F)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.71
KDR P35968 8/20 0.57
FGFR1 P11362 4/20 0.57
FLT1 P17948 4/20 0.57
FLT4 P35916 3/20 0.57
ERBB2 P04626 7/20 0.55
SRC P12931 4/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
EPHB6 O15197 1/20 0.53
ABCC4 O15439 1/20 0.53
DAPK3 O43293 1/20 0.53
RIPK2 O43353 1/20 0.53
NR1I2 O75469 1/20 0.53
RPS6KA4 O75676 1/20 0.53
STK17B O94768 1/20 0.53
STK10 O94804 1/20 0.53
PRKD3 O94806 1/20 0.53
ABCB11 O95342 1/20 0.53
MAP4K4 O95819 1/20 0.53

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
SCHEMBL23406747 1.00 EGFR (0.71) EGFRKDRFGFR1FLT1FLT4
SCHEMBL23406626 0.96 EGFR (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL29944985 0.96 EGFR (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL2247234 0.89 EGFR (0.89) EGFRKDRFLT4ERBB2SRC
SCHEMBL29944998 0.88 ERBB2 (0.58) EGFRKDRFGFR1FLT1FLT4
SCHEMBL21835987 0.87 EGFR (0.55) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3245680 0.87 EGFR (0.66) EGFRKDRFGFR1FLT1FLT4
SCHEMBL23406677 0.86 EGFR (0.64) EGFRKDRFLT1ERBB2SRC
SCHEMBL23406706 0.84 EGFR (0.51) EGFRKDRFGFR1FLT1FLT4
SCHEMBL29944987 0.84 EGFR (0.51) EGFRKDRFGFR1FLT1FLT4

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-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-11-17 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-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR EGFR 3/4885KDR 47/4885FGFR1 96/4885

“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.