SCHEMBL6906285

SCHEMBL6906285

COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.82
SRC P12931 7/20 0.82
EGFR P00533 11/20 0.80
BRAF P15056 3/20 0.79
FLT4 P35916 2/20 0.79
EPHB4 P54760 2/20 0.79
CIT O14578 1/20 0.79
GAK O14976 1/20 0.79
EPHB6 O15197 1/20 0.79
ABCC4 O15439 1/20 0.79
DAPK3 O43293 1/20 0.79
RIPK2 O43353 1/20 0.79
NR1I2 O75469 1/20 0.79
RPS6KA4 O75676 1/20 0.79
STK17B O94768 1/20 0.79
STK10 O94804 1/20 0.79
PRKD3 O94806 1/20 0.79
ABCB11 O95342 1/20 0.79
MAP4K4 O95819 1/20 0.79
CHEK2 O96017 1/20 0.79

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
SCHEMBL13529060 0.90 SRC (0.84) KDRSRCEGFRBRAFFLT4
SCHEMBL1155807 0.89 SRC (0.81) KDRSRCEGFRBRAFFLT4
Gefitinib SCHEMBL7866 0.88 EGFR (1.00) KDRSRCEGFRBRAFFLT4
Gefitinib SCHEMBL29351336 0.88 EGFR (1.00) KDRSRCEGFRBRAFFLT4
Gefitinib SCHEMBL465143 0.88 EGFR (1.00) KDRSRCEGFRBRAFFLT4
Gefitinib SCHEMBL29351046 0.88 EGFR (1.00) KDRSRCEGFRBRAFFLT4
SCHEMBL1734701 0.88 EGFR (1.00) KDRSRCEGFRBRAFFLT4
SCHEMBL15591842 0.88 EGFR (0.89) KDRSRCEGFRBRAFFLT4
SCHEMBL29483201 0.87 EGFR (1.00) KDRSRCEGFRBRAFFLT4
SCHEMBL828788 0.87 EGFR (1.00) KDRSRCEGFRBRAFFLT4

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
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN claimed
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN 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-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, ERBB2 KDR 1785/4885SRC 218/4885EGFR 2/4885

“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.