SCHEMBL19220798

SCHEMBL19220798

COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCCCN1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.78
RET P07949 5/20 0.68
KDR P35968 5/20 0.67
EPHB4 P54760 3/20 0.67
FLT4 P35916 2/20 0.67
CIT O14578 1/20 0.67
GAK O14976 1/20 0.67
EPHB6 O15197 1/20 0.67
ABCC4 O15439 1/20 0.67
DAPK3 O43293 1/20 0.67
RIPK2 O43353 1/20 0.67
NR1I2 O75469 1/20 0.67
RPS6KA4 O75676 1/20 0.67
STK17B O94768 1/20 0.67
STK10 O94804 1/20 0.67
PRKD3 O94806 1/20 0.67
ABCB11 O95342 1/20 0.67
MAP4K4 O95819 1/20 0.67
CHEK2 O96017 1/20 0.67
ABL1 P00519 1/20 0.67

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
SCHEMBL19220796 0.97 EGFR (0.82) EGFRRETKDREPHB4FLT4
SCHEMBL19220793 0.95 EGFR (0.82) EGFRRETKDREPHB4FLT4
SCHEMBL17520333 0.90 EGFR (0.95) EGFRRETKDREPHB4FLT4
SCHEMBL799681 0.90 EGFR (0.83) EGFRRETKDREPHB4FLT4
SCHEMBL17520338 0.88 EGFR (1.00) EGFRRETKDREPHB4FLT4
SCHEMBL12012 0.88 EGFR (1.00) EGFRRETKDREPHB4FLT4
SCHEMBL11395 0.87 EGFR (1.00) EGFRRETKDREPHB4FLT4
SCHEMBL18445444 0.87 EGFR (0.67) EGFRRETKDREPHB4FLT4
SCHEMBL15946797 0.86 EGFR (0.68) EGFRRETKDREPHB4FLT4
SCHEMBL15946835 0.86 EGFR (0.66) EGFRRETKDREPHB4FLT4

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-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 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 (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-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 EGFR 3701/4885RET 4595/4885KDR 3669/4885

“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.