SCHEMBL19006946

SCHEMBL19006946

COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCCN(C)C

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.81
RET P07949 3/20 0.70
KIF5B P33176 2/20 0.70
KDR P35968 3/20 0.63
AURKA O14965 1/20 0.60
ERBB2 P04626 1/20 0.60
INSR P06213 1/20 0.60
FBP1 P09467 1/20 0.60
PDGFRB P09619 1/20 0.60
FLT4 P35916 1/20 0.60
CLK1 P49759 1/20 0.60
EPHB4 P54760 1/20 0.60
TEK Q02763 1/20 0.60
AURKB Q96GD4 1/20 0.60
RIPK2 O43353 1/20 0.60
NOD1 Q9Y239 1/20 0.60

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
SCHEMBL19220791 0.97 EGFR (0.77) EGFRRETKIF5BKDR
SCHEMBL8789 0.92 EGFR (0.84) EGFRRETKIF5BKDRAURKA
SCHEMBL2102985 0.90 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL17520337 0.90 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL25707230 0.88 RET (0.68) EGFRRETKIF5BKDRAURKA
SCHEMBL17520361 0.87 EGFR (0.94) EGFRKDRAURKAERBB2INSR
SCHEMBL13498209 0.85 EGFR (0.64) EGFRRETKIF5BKDRAURKA
SCHEMBL11113 0.85 EGFR (1.00) EGFRKDRAURKAERBB2INSR
SCHEMBL19885272 0.85 EGFR (0.64) EGFRRETKIF5BKDRAURKA
SCHEMBL19220797 0.84 HDAC3 (0.69) EGFRKDRERBB2

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 2 patents. 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
EP-3181554-A1 QUINAZOLINE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-06-21 EP 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 4595/4885KIF5B 1385/4885

“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.