SCHEMBL5026040

SCHEMBL5026040

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CDK1 P06493 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CDK5 Q00535 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
LCK P06239 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAF1 P04049 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5025975 0.88 KDM4E (0.42) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5023839 0.85 CDK2 (0.39) HPGDEGFRCCNE1CDK2CDK5
SCHEMBL29358752 0.83 S1PR3 (0.46) MAPTCCNE1CDK2CDK5LMNA
SCHEMBL21394890 0.83 S1PR3 (0.46) MAPTCCNE1CDK2CDK5LMNA
SCHEMBL6041183 0.80 MAPT (0.44) MAPTHPGDALOX15CDK1EGFR
SCHEMBL5027676 0.77 L3MBTL1 (0.46) MAPTNPC1LMNARAB9AHTT
SCHEMBL21394886 0.76 P2RY2 (0.53) CCNE1CDK2CDK5P2RY2
SCHEMBL3790245 0.76 HPGD (0.63) MAPTHPGDALOX15CDK1EGFR
SCHEMBL5023806 0.76 ATG4B (0.48) HPGDCDK1CCNE1CDK2CDK5
SCHEMBL21395232 0.75 P2RY2 (0.43) CDK1CCNE1CDK2CDK5LCK

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 MAPT 1921/4885HPGD 4083/4885ALOX15 4874/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB MAPT 1809/4885HPGD 4109/4885ALOX15 4862/4885

“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.