SCHEMBL21473570

SCHEMBL21473570

COc1cc2c(O)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.61
KDR P35968 10/20 0.61
FGFR1 P11362 7/20 0.61
FLT1 P17948 7/20 0.61
FLT4 P35916 7/20 0.61
RET P07949 2/20 0.61
KIF5B P33176 2/20 0.61
SRC P12931 2/20 0.59
PDGFRB P09619 2/20 0.59
TEK Q02763 2/20 0.59
BMPR1B O00238 1/20 0.59
PLK4 O00444 1/20 0.59
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
RIPK2 O43353 1/20 0.59
ROCK2 O75116 1/20 0.59
STK10 O94804 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59

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
SCHEMBL3428791 0.88 EGFR (0.51) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4417734 0.86 EGFR (0.61) EGFRKDRFGFR1FLT1FLT4
SCHEMBL1613217 0.86 EGFR (0.66) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30017110 0.86 EGFR (0.66) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4552440 0.84 EGFR (0.70) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3425764 0.82 EGFR (0.53) EGFRKDRRETKIF5BKIT
SCHEMBL4690101 0.81 KDR (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30393893 0.80 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL14095984 0.79 EGFR (0.89) EGFR
SCHEMBL30891807 0.79 EGFR (0.89) EGFR

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-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 US disclosed
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
WO-2019196938-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF 华东理工大学 2019-10-17 WO 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-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885KDR 29/4885FGFR1 10/4885

“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.