SCHEMBL21473615

SCHEMBL21473615

COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3F)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.72
EGFR P00533 18/20 0.71
FGFR1 P11362 5/20 0.70
FLT1 P17948 5/20 0.70
FLT4 P35916 5/20 0.70
PDGFRB P09619 2/20 0.70
TEK Q02763 2/20 0.70
BMPR1B O00238 1/20 0.70
PLK4 O00444 1/20 0.70
CIT O14578 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
RIPK2 O43353 1/20 0.70
ROCK2 O75116 1/20 0.70
STK10 O94804 1/20 0.70
MAP4K4 O95819 1/20 0.70
ABL1 P00519 1/20 0.70
ERBB2 P04626 1/20 0.70
LCK P06239 1/20 0.70
FYN P06241 1/20 0.70

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
SCHEMBL21473617 0.94 EGFR (0.70) KDREGFRFGFR1FLT1FLT4
SCHEMBL30017782 0.92 KDR (0.71) KDREGFRFGFR1FLT1FLT4
SCHEMBL28959245 0.91 KDR (0.70) KDREGFRFGFR1FLT1FLT4
SCHEMBL28959225 0.91 EGFR (0.69) KDREGFRFGFR1FLT1FLT4
SCHEMBL28959197 0.91 EGFR (0.72) KDREGFRFGFR1FLT1FLT4
SCHEMBL28959241 0.90 EGFR (0.77) KDREGFRROCK2LCKFYN
SCHEMBL28959209 0.90 EGFR (0.67) KDREGFRFGFR1FLT1FLT4
SCHEMBL30017257 0.90 KDR (0.69) KDREGFRFGFR1FLT1FLT4
SCHEMBL30017747 0.90 EGFR (0.71) KDREGFRFGFR1FLT1FLT4
SCHEMBL28959222 0.90 EGFR (0.69) KDREGFRFGFR1FLT1FLT4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403557-A Quinoline and quinazoline compounds as fourth-generation EGFR (epidermal growth factor receptor) inhibitor and application thereof 华东理工大学 2022-11-29 CN disclosed
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 KDR 29/4885EGFR 1/4885FGFR1 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.