SCHEMBL13628136

SCHEMBL13628136

COc1cc(CN2C(=O)/C(=N\O)c3c(Br)cccc32)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
CMA1 P23946 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM5 P08912 3/20 0.38
LMNA P02545 1/20 0.36
ACE P12821 1/20 0.36
PARK7 Q99497 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL13628137 0.84 BRD4 (0.45) BRD4CMA1MAPTALDH1A1KDM4E
SCHEMBL13627958 0.81 ALDH1A1 (0.52) BRD4MAPTALDH1A1KDM4EPOLB
SCHEMBL13628067 0.78 UCHL1 (0.44) CMA1MAPTALDH1A1POLBMEN1
SCHEMBL13628091 0.78 APAF1 (0.42) BRD4CMA1MAPTALDH1A1KDM4E
SCHEMBL13628069 0.76 CHRM5 (0.47) CMA1MAPTALDH1A1KDM4EPOLB
SCHEMBL13628060 0.74 MAPT (0.45) CMA1MAPTALDH1A1POLBMEN1
SCHEMBL13627977 0.74 TRPA1 (0.43) ALDH1A1CHRM5ACEPARK7CA12
SCHEMBL13627966 0.74 UCHL3 (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL4739205 0.73 CASP3 (0.54) CMA1KDM4EL3MBTL1CHRM5PARK7
SCHEMBL29460878 0.73 CASP3 (0.54) CMA1KDM4EL3MBTL1CHRM5PARK7

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
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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 (1 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 BRD4 702/4885CMA1 1855/4885MAPT 1666/4885

“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.