SCHEMBL5025973

SCHEMBL5025973

COc1cc2c(Nc3nc(C)c(C(C)=O)s3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.71
AURKB Q96GD4 4/20 0.64
SRC P12931 6/20 0.64
KDR P35968 6/20 0.61
EGFR P00533 5/20 0.61
BRAF P15056 1/20 0.60
RET P07949 2/20 0.60
ROCK2 O75116 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
MET P08581 1/20 0.60
MAPT P10636 1/20 0.60
PDGFRA P16234 1/20 0.60
LTK P29376 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
TYRO3 Q06418 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
SCHEMBL14216879 0.94 AURKA (0.71) AURKAAURKBSRCKDREGFR
SCHEMBL14216878 0.92 AURKA (0.69) AURKAAURKBSRCKDREGFR
SCHEMBL14216876 0.86 AURKA (0.69) AURKAAURKBSRCKDREGFR
SCHEMBL14421356 0.85 AURKA (0.68) AURKAAURKBSRCKDREGFR
SCHEMBL5025330 0.83 AURKA (0.81) AURKAAURKBSRCKDREGFR
SCHEMBL14421417 0.82 AURKA (0.75) AURKAAURKBSRCKDREGFR
SCHEMBL14421415 0.82 AURKA (0.81) AURKAAURKBSRCKDREGFR
SCHEMBL28354396 0.82 AURKA (0.72) AURKAAURKBSRCKDREGFR
SCHEMBL6704281 0.81 EGFR (0.80) AURKAAURKBSRCKDREGFR
SCHEMBL6427024 0.81 AURKA (0.80) AURKAAURKBSRCKDREGFR

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
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP 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

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 1/4885AURKB 2/4885SRC 364/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885SRC 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.