SCHEMBL13319080

SCHEMBL13319080

COc1cc2ncnc(Cc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.71
KDR P35968 5/20 0.71
FLT4 P35916 3/20 0.71
BRAF P15056 2/20 0.71
ERBB2 P04626 2/20 0.71
SRC P12931 2/20 0.71
CIT O14578 1/20 0.71
GAK O14976 1/20 0.71
EPHB6 O15197 1/20 0.71
ABCC4 O15439 1/20 0.71
DAPK3 O43293 1/20 0.71
RIPK2 O43353 1/20 0.71
NR1I2 O75469 1/20 0.71
RPS6KA4 O75676 1/20 0.71
STK17B O94768 1/20 0.71
STK10 O94804 1/20 0.71
PRKD3 O94806 1/20 0.71
ABCB11 O95342 1/20 0.71
MAP4K4 O95819 1/20 0.71
CHEK2 O96017 1/20 0.71

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
SCHEMBL22594686 0.84 KDR (0.70) EGFRKDRFLT4BRAFERBB2
Gefitinib SCHEMBL29351336 0.83 EGFR (1.00) EGFRKDRFLT4BRAFERBB2
Gefitinib SCHEMBL7866 0.83 EGFR (1.00) EGFRKDRFLT4BRAFERBB2
Gefitinib SCHEMBL29351046 0.83 EGFR (1.00) EGFRKDRFLT4BRAFERBB2
Gefitinib SCHEMBL465143 0.83 EGFR (1.00) EGFRKDRFLT4BRAFERBB2
SCHEMBL1734701 0.83 EGFR (1.00) EGFRKDRFLT4BRAFERBB2
SCHEMBL13284238 0.83 EGFR (0.91) EGFRKDRFLT4BRAFERBB2
SCHEMBL23258972 0.82 EGFR (0.80) EGFRKDRFLT4BRAFERBB2
Gefitinib SCHEMBL2770155 0.82 EGFR (0.98) EGFRKDRFLT4BRAFERBB2
Gefitinib SCHEMBL30887946 0.82 EGFR (0.98) EGFRKDRFLT4BRAFERBB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753431-B2 Compounds comprising cleavable linker and uses thereof INTOCELL, INC. (KR) 2023-09-12 US disclosed
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-10 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 (2 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-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE EGFR, ABL1, ERBB2 EGFR 1/4885KDR 82/4885FLT4 109/4885
US-11753431-B2 Compounds comprising cleavable linker and uses thereof VIP, ANTXR2, TNFRSF9 EGFR 18/4885KDR 421/4885FLT4 172/4885

“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.