SCHEMBL4414825

SCHEMBL4414825

COc1cc2c(Nc3cc(OC(C)=O)n[nH]3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.62
EGFR P00533 12/20 0.61
KDR P35968 12/20 0.60
BRAF P15056 2/20 0.60
AURKA O14965 3/20 0.60
LCK P06239 2/20 0.60
RET P07949 2/20 0.60
MET P08581 2/20 0.60
MAPT P10636 2/20 0.60
LTK P29376 2/20 0.60
TNK2 Q07912 2/20 0.60
MAP4K5 Q9Y4K4 2/20 0.60
ROCK2 O75116 1/20 0.60
ALDH1A1 P00352 1/20 0.60
FYN P06241 1/20 0.60
PDGFRA P16234 1/20 0.60
TTK P33981 1/20 0.60
MAP2K2 P36507 1/20 0.60
MAP2K1 Q02750 1/20 0.60
BTK Q06187 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
SCHEMBL13749953 0.86 SRC (0.62) SRCEGFRKDRBRAFAURKA
SCHEMBL4289349 0.86 EGFR (0.62) SRCEGFRKDRBRAFAURKA
SCHEMBL4276684 0.86 KDR (0.50) EGFRKDR
SCHEMBL6501476 0.85 EGFR (0.60) SRCEGFRKDRBRAFAURKA
SCHEMBL13750138 0.85 SRC (0.66) SRCEGFRKDRBRAFAURKA
SCHEMBL6704281 0.80 EGFR (0.80) SRCEGFRKDRBRAFAURKA
SCHEMBL14421402 0.79 AURKA (0.64) SRCEGFRKDRBRAFAURKA
SCHEMBL28350783 0.79 SRC (0.73) SRCEGFRKDRBRAFAURKA
SCHEMBL28354322 0.79 SRC (0.73) SRCEGFRKDRBRAFAURKA
SCHEMBL5653890 0.78 AURKA (0.75) SRCEGFRKDRBRAFAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB SRC 785/4885EGFR 1016/4885KDR 933/4885

“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.