SCHEMBL23406599

SCHEMBL23406599

COC1CN(CCOc2cc3ncnc(Nc4cc(Cl)c(OCc5cccc(F)c5)cc4F)c3cc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.55
GAK O14976 1/20 0.50
ERBB2 P04626 6/20 0.49
ERBB4 Q15303 1/20 0.47
KDR P35968 4/20 0.46
FGFR1 P11362 3/20 0.46
FLT1 P17948 3/20 0.46
FLT4 P35916 2/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL29945022 1.00 EGFR (0.55) EGFRGAKERBB2ERBB4KDR
SCHEMBL21835987 0.96 EGFR (0.55) EGFRGAKERBB2ERBB4KDR
SCHEMBL29944987 0.90 EGFR (0.51) EGFRGAKERBB2ERBB4KDR
SCHEMBL23406706 0.90 EGFR (0.51) EGFRGAKERBB2ERBB4KDR
SCHEMBL29944998 0.89 ERBB2 (0.58) EGFRGAKERBB2ERBB4KDR
SCHEMBL23406685 0.88 EGFR (0.53) EGFRERBB2ERBB4
SCHEMBL23406626 0.87 EGFR (0.65) EGFRERBB2KDRFGFR1FLT1
SCHEMBL29944985 0.87 EGFR (0.65) EGFRERBB2KDRFGFR1FLT1
SCHEMBL23450849 0.86 EGFR (0.65) EGFRERBB2ERBB4KDRHDAC2
SCHEMBL23406600 0.84 EGFR (0.53) EGFRERBB2ERBB4

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-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. 2021-06-03 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-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR EGFR 3/4885GAK 443/4885ERBB2 1/4885

“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.