SCHEMBL5027792

SCHEMBL5027792

CC(C)(C)OC(=O)Nc1ncc(C(=O)C(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
CCNE2 O96020 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LCK P06239 4/20 0.40
CDK5 Q00535 2/20 0.39
PI4KB Q9UBF8 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL951493 0.88 CA1 (0.46) CA1CA2CCNE1CDK2CCNE2
SCHEMBL5023749 0.87 CA1 (0.43) CA1CA2CCNE1CDK2CCNE2
Hydrochloric Acid SCHEMBL1984391 0.87 CA1 (0.45) CA1CA2CCNE1CDK2CCNE2
SCHEMBL12715493 0.85 CCNE1 (0.50) CA1CA2CCNE1CDK2CCNE2
SCHEMBL1984390 0.84 CA1 (0.45) CA1CA2CCNE1CDK2CCNE2
SCHEMBL1131936 0.84 FFAR2 (0.48) CA1CA2CCNE1CDK2CCNE2
SCHEMBL949743 0.83 CA1 (0.44) CA1CA2CCNE1CDK2CCNE2
SCHEMBL16753888 0.81 CCNE1 (0.43) CA1CA2CCNE1CDK2CCNE2
SCHEMBL29632538 0.80 KDM4E (0.51) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL31242797 0.80 CCNE1 (0.43) CA1CA2CCNE1CDK2CCNE2

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 CA1 2997/4885CA2 1519/4885CCNE1 199/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB CA1 3144/4885CA2 1318/4885CCNE1 106/4885

“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.