SCHEMBL13189303

SCHEMBL13189303

CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.70
▸ KDR P35968 4/20 0.69
▸ EPHB4 P54760 3/20 0.69
▸ ERBB2 P04626 2/20 0.69
▸ FLT4 P35916 2/20 0.69
▸ BRAF P15056 2/20 0.69
▸ CIT O14578 1/20 0.69
▸ GAK O14976 1/20 0.69
▸ EPHB6 O15197 1/20 0.69
▸ ABCC4 O15439 1/20 0.69
▸ DAPK3 O43293 1/20 0.69
▸ RIPK2 O43353 1/20 0.69
▸ NR1I2 O75469 1/20 0.69
▸ RPS6KA4 O75676 1/20 0.69
▸ STK17B O94768 1/20 0.69
▸ STK10 O94804 1/20 0.69
▸ PRKD3 O94806 1/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ MAP4K4 O95819 1/20 0.69
▸ CHEK2 O96017 1/20 0.69

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
SCHEMBL7845027 0.90 EGFR (0.69) EGFRKDREPHB4ERBB2FLT4
SCHEMBL7846579 0.86 ERBB2 (0.61) EGFRKDREPHB4ERBB2FLT4
SCHEMBL6383139 0.84 EGFR (0.74) EGFRERBB2PRKD3SRCPRKD1
SCHEMBL14092461 0.83 EGFR (0.82) EGFRKDREPHB4ERBB2FLT4
SCHEMBL11019 0.83 EGFR (1.00) EGFRKDREPHB4ERBB2FLT4
Gefitinib SCHEMBL29351336 0.82 EGFR (1.00) EGFRKDREPHB4ERBB2FLT4
SCHEMBL1734701 0.82 EGFR (1.00) EGFRKDREPHB4ERBB2FLT4
Gefitinib SCHEMBL29351046 0.82 EGFR (1.00) EGFRKDREPHB4ERBB2FLT4
Gefitinib SCHEMBL465143 0.82 EGFR (1.00) EGFRKDREPHB4ERBB2FLT4
SCHEMBL27315311 0.82 EGFR (0.80) EGFRKDREPHB4ERBB2FLT4

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
EP-2802608-A2 COMPOUNDS&METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS&OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2014-11-19 — — EP disclosed
WO-2013106643-A2 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE YALE UNIVERSITY (US) 2013-07-18 — — WO disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 — — 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-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 EGFR 310/4885KDR 2584/4885EPHB4 284/4885

“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.

Send feedback