SCHEMBL29944978

SCHEMBL29944978

Nc1cc2c(Nc3ccc(OCc4ncccn4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
KDR P35968 5/20 0.62
ERBB2 P04626 4/20 0.62
SRC P12931 4/20 0.62
EPHB4 P54760 3/20 0.62
CIT O14578 2/20 0.62
GAK O14976 2/20 0.62
EPHB6 O15197 2/20 0.62
RIPK2 O43353 2/20 0.62
STK17B O94768 2/20 0.62
STK10 O94804 2/20 0.62
ABL1 P00519 2/20 0.62
LCK P06239 2/20 0.62
LYN P07948 2/20 0.62
RET P07949 2/20 0.62
MET P08581 2/20 0.62
HCK P08631 2/20 0.62
FGR P09769 2/20 0.62
KIT P10721 2/20 0.62
EPHA1 P21709 2/20 0.62

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
SCHEMBL23406671 1.00 EGFR (0.68) EGFRKDRERBB2SRCEPHB4
SCHEMBL6101475 0.92 EGFR (0.70) EGFRKDRERBB2SRCEPHB4
SCHEMBL29944974 0.90 EGFR (0.64) EGFRKDRERBB2SRCEPHB4
SCHEMBL29944990 0.90 EGFR (0.64) EGFRKDRERBB2SRCEPHB4
SCHEMBL4858957 0.90 EGFR (0.70) EGFRKDRERBB2SRCEPHB4
SCHEMBL21835221 0.89 EGFR (0.62) EGFRKDRERBB2SRCEPHB4
SCHEMBL21835284 0.88 EGFR (0.69) EGFRKDRERBB2SRCEPHB4
SCHEMBL2247234 0.88 EGFR (0.89) EGFRKDRERBB2SRCEPHB4
SCHEMBL2963866 0.87 EGFR (0.80) EGFRKDRERBB2SRCEPHB4
SCHEMBL23406686 0.85 EGFR (0.65) EGFRKDRERBB2SRCEPHB4

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 47/4885ERBB2 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.