SCHEMBL29944982

SCHEMBL29944982

CN1C2CCC1(COc1cc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3cc1N)CC2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.54
ERBB2 P04626 15/20 0.53
LCK P06239 1/20 0.53
KCNH2 Q12809 1/20 0.52
ERBB3 P21860 1/20 0.51
ERBB4 Q15303 1/20 0.51
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49

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
SCHEMBL21835499 0.88 EGFR (0.53) EGFRERBB2LCKKCNH2ERBB3
SCHEMBL21835290 0.87 EGFR (0.55) EGFRERBB2LCKKCNH2AURKA
SCHEMBL23406667 0.85 EGFR (0.67) EGFRERBB2LCKERBB3
SCHEMBL29944975 0.85 EGFR (0.57) EGFRERBB2LCKKCNH2ERBB3
SCHEMBL29719067 0.84 EGFR (0.53) EGFRERBB2LCKKCNH2ERBB3
SCHEMBL21835301 0.84 EGFR (0.56) EGFRERBB2LCKKCNH2ERBB3
SCHEMBL4868102 0.83 ERBB2 (0.59) EGFRERBB2LCKKCNH2ERBB3
SCHEMBL21835418 0.83 EGFR (0.57) EGFRERBB2LCKKCNH2ERBB3
SCHEMBL28689859 0.83 AURKA (0.60) EGFRERBB2LCKKCNH2ERBB3
SCHEMBL4861063 0.83 EGFR (0.64) EGFRERBB2LCKERBB3ERBB4

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 1/4885LCK 8/4885

“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.