SCHEMBL5651357

SCHEMBL5651357

COc1cc2c(Nc3ccc(OCc4ccccc4)c(C4=CC(=O)C=CC4=O)c3)ncnc2cc1OCCCN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.67
EGFR P00533 10/20 0.58
EPHA2 P29317 2/20 0.55
EPHB4 P54760 2/20 0.55
SRC P12931 3/20 0.54
ERBB2 P04626 2/20 0.54
AURKA O14965 1/20 0.53
ROCK2 O75116 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
RET P07949 1/20 0.53
MET P08581 1/20 0.53
MAPT P10636 1/20 0.53
PDGFRA P16234 1/20 0.53
LTK P29376 1/20 0.53
TTK P33981 1/20 0.53
MAP2K2 P36507 1/20 0.53
MAP2K1 Q02750 1/20 0.53
BTK Q06187 1/20 0.53

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
SCHEMBL5647590 0.93 EGFR (0.65) KDREGFREPHA2EPHB4SRC
SCHEMBL5650383 0.93 EGFR (0.62) KDREGFREPHA2EPHB4SRC
SCHEMBL5647373 0.93 EGFR (0.65) KDREGFRSRCERBB2
SCHEMBL5648952 0.91 EGFR (0.61) KDREGFREPHA2EPHB4SRC
SCHEMBL5651221 0.91 EGFR (0.58) KDREGFREPHA2EPHB4SRC
SCHEMBL5650838 0.90 KDR (0.68) KDREGFREPHA2EPHB4SRC
SCHEMBL5652609 0.89 KDR (0.64) KDREGFREPHA2EPHB4SRC
SCHEMBL5649674 0.89 KDR (0.64) KDREGFREPHA2EPHB4SRC
SCHEMBL5652274 0.88 KDR (0.63) KDREGFR
SCHEMBL5652647 0.87 KDR (0.65) KDREGFREPHA2EPHB4SRC

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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US claimed

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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 KDR 1/4885EGFR 439/4885EPHA2 814/4885

“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.