SCHEMBL13627940

SCHEMBL13627940

Cc1ccc(CN2C(=O)/C(=N\O)c3cc(F)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.51
ALDH1A1 P00352 5/20 0.49
ALDH3A1 P30838 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
TRPA1 O75762 1/20 0.48
HSP90AA1 P07900 1/20 0.47
ACHE P22303 1/20 0.47
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
PARK7 Q99497 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.42
UBE2N P61088 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
UCHL1 P09936 2/20 0.41

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
SCHEMBL13627919 0.93 ACHE (0.53) CHRM5ALDH1A1ALDH3A1MAPTLMNA
SCHEMBL13627937 0.92 CHRM5 (0.55) CHRM5ALDH1A1ALDH3A1LMNATRPA1
SCHEMBL13627921 0.90 ACHE (0.58) ALDH1A1MAPTLMNAPOLBHSP90AA1
SCHEMBL13627936 0.87 TRPA1 (0.62) CHRM5ALDH1A1ALDH3A1MAPTTRPA1
SCHEMBL13627948 0.87 TRPA1 (0.48) CHRM5ALDH1A1ALDH3A1MAPTLMNA
SCHEMBL13627970 0.87 CHRM5 (0.53) CHRM5ALDH1A1ALDH3A1TRPA1CA12
SCHEMBL13627931 0.86 CA1 (0.56) ALDH1A1ALDH3A1MAPTLMNAPOLB
SCHEMBL13627976 0.86 CA1 (0.52) CHRM5ALDH1A1ALDH3A1TRPA1CA12
SCHEMBL13627905 0.85 ACHE (0.60) CHRM5ALDH1A1ALDH3A1MAPTLMNA
SCHEMBL13627923 0.84 UBE2N (0.52) ALDH1A1ALDH3A1MAPTLMNAPOLB

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 5 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
EP-1175399-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) VERTEX PHARMA (US) 2009-03-11 EP 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 CHRM5 4815/4885ALDH1A1 4310/4885ALDH3A1 4247/4885

“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.