SCHEMBL5025344

SCHEMBL5025344

COc1cc2c(Nc3ncc(C(=O)O)[nH]3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.64
KDR P35968 7/20 0.64
SRC P12931 6/20 0.64
EGFR P00533 5/20 0.64
AURKB Q96GD4 4/20 0.64
ROCK2 O75116 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LCK P06239 1/20 0.64
FYN P06241 1/20 0.64
RET P07949 1/20 0.64
MET P08581 1/20 0.64
MAPT P10636 1/20 0.64
PDGFRA P16234 1/20 0.64
LTK P29376 1/20 0.64
TTK P33981 1/20 0.64
MAP2K2 P36507 1/20 0.64
MAP2K1 Q02750 1/20 0.64
BTK Q06187 1/20 0.64
TYRO3 Q06418 1/20 0.64
TNK2 Q07912 1/20 0.64

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
SCHEMBL14421405 0.91 AURKA (0.63) AURKAKDRSRCEGFRAURKB
SCHEMBL14421402 0.87 AURKA (0.64) AURKAKDRSRCEGFRAURKB
SCHEMBL14421400 0.85 SRC (0.68) AURKAKDRSRCEGFRAURKB
SCHEMBL5653890 0.84 AURKA (0.75) AURKAKDRSRCEGFRAURKB
SCHEMBL5025330 0.83 AURKA (0.81) AURKAKDRSRCEGFRAURKB
SCHEMBL14216857 0.82 SRC (0.70) AURKAKDRSRCEGFRLCK
Hydrochloric Acid SCHEMBL3535974 0.82 EGFR (0.80) AURKAKDRSRCEGFRAURKB
SCHEMBL14421314 0.81 SRC (0.69) AURKAKDRSRCEGFRAURKB
SCHEMBL14421399 0.81 SRC (0.62) AURKAKDRSRCEGFRAURKB
SCHEMBL16341938 0.81 SRC (0.68) AURKAKDRSRCEGFRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 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 (2 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC AURKA 1/4885KDR 538/4885SRC 364/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB AURKA 1/4885KDR 1295/4885SRC 347/4885

“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.