SCHEMBL5025975

SCHEMBL5025975

CC(C)(C)OC(=O)Nc1ncc(C(O)C(=O)Nc2cccc(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
SYK P43405 1/20 0.41
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CDK5 Q00535 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.37
GRM5 P41594 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5026040 0.88 MAPT (0.43) MEN1KMT2ACCNE1CDK2CDK5
SCHEMBL5023839 0.87 CDK2 (0.39) MEN1KMT2ASYKCCNE1CDK2
SCHEMBL5023806 0.85 ATG4B (0.48) ATMCCNE1CDK2CDK5CTSS
SCHEMBL21394898 0.83 SCD (0.45) SYKCCNE1CDK2CDK5LCK
SCHEMBL29356596 0.83 SCD (0.45) SYKCCNE1CDK2CDK5LCK
SCHEMBL6041179 0.80 SYK (0.42) KDM4EMEN1KMT2ASYKNPC1
SCHEMBL5045023 0.79 AURKA (0.52) MEN1KMT2ASYKCCNE1CDK2
SCHEMBL5025177 0.77 SMN1; SMN2 (0.46) KDM4EMEN1KMT2AATMNPC1
SCHEMBL21394901 0.77 CCNE1 (0.41) SYKCCNE1CDK2CDK5LCK
SCHEMBL21395245 0.77 CCNE1 (0.41) SYKCCNE1CDK2CDK5NPC1

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 9 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
CN-1267431-C Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-08-02 CN 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
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN 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 KDM4E 1848/4885MEN1 1888/4885KMT2A 909/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB KDM4E 1468/4885MEN1 2422/4885KMT2A 790/4885

“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.