SCHEMBL2396942

SCHEMBL2396942

CCCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CTSS P25774 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL2396945 1.00 CTSK (0.35) CTSKCA2MAPK1MEN1GAA
SCHEMBL25185999 0.90 CA14 (0.38) CTSKCA2MEN1GAAKMT2A
SCHEMBL12808019 0.90 CA14 (0.38) CTSKCA2MEN1GAAKMT2A
SCHEMBL18619385 0.86 CA14 (0.40) CTSKCA2CA14CA12CA1
SCHEMBL5739385 0.86 MEN1 (0.33) MEN1GAAKMT2ACA14HDAC1
SCHEMBL9331400 0.85 CA2 (0.35) CTSKCA2MAPK1MEN1GAA
SCHEMBL30916167 0.84 KMT2A (0.41) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL3158882 0.83 MEN1 (0.34) CTSKCA2MEN1GAAKMT2A
SCHEMBL1163137 0.83 MEN1 (0.34) CTSKCA2MEN1GAAKMT2A
SCHEMBL3193193 0.83 MEN1 (0.34) CTSKCA2MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173724-B1 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2012-12-05 EP disclosed
US-8232285-B2 Quinazolinone compounds and methods of use thereof ARQULE, INC. (US) 2012-07-31 US disclosed
US-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2011-09-08 US disclosed
EP-2173724-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2010-04-14 EP disclosed
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2009-05-21 US disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 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-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 CTSK 553/4885CA2 1688/4885MAPK1 3448/4885
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 CTSK 553/4885CA2 1688/4885MAPK1 3448/4885

“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.