SCHEMBL29944987

SCHEMBL29944987

Nc1cc2c(Nc3cc(Cl)c(OCc4cccc(F)c4)cc3F)ncnc2cc1OCCN1CC2CCC(C1)O2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.51
ERBB2 P04626 7/20 0.46
GAK O14976 1/20 0.46
ERBB4 Q15303 1/20 0.43
FGFR1 P11362 2/20 0.42
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL23406706 1.00 EGFR (0.51) EGFRERBB2GAKERBB4FGFR1
SCHEMBL23406599 0.90 EGFR (0.55) EGFRERBB2GAKERBB4FGFR1
SCHEMBL29945022 0.90 EGFR (0.55) EGFRERBB2GAKERBB4FGFR1
SCHEMBL23406626 0.88 EGFR (0.65) EGFRERBB2FGFR1FLT1KDR
SCHEMBL29944985 0.88 EGFR (0.65) EGFRERBB2FGFR1FLT1KDR
SCHEMBL21835427 0.87 EGFR (0.46) EGFRERBB2ERBB4
SCHEMBL29944998 0.87 ERBB2 (0.58) EGFRERBB2GAKERBB4FGFR1
SCHEMBL23406668 0.87 EGFR (0.50) EGFRERBB2ERBB4
SCHEMBL23451001 0.86 EGFR (0.61) EGFRERBB2GAKERBB4FLT1
SCHEMBL21835987 0.86 EGFR (0.55) EGFRERBB2GAKERBB4FGFR1

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 3/4885ERBB2 1/4885GAK 443/4885

“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.