SCHEMBL13627923

SCHEMBL13627923

Cc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.46
HSP90AA1 P07900 1/20 0.45
ACHE P22303 1/20 0.44
TRPA1 O75762 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH3A1 P30838 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
DPP4 P27487 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
SCHEMBL13627948 0.91 TRPA1 (0.48) UBE2NTDP1CA1CA2CA9
SCHEMBL13627946 0.90 UBE2N (0.56) UBE2NTDP1CA1CA2CA9
SCHEMBL13627922 0.90 ACHE (0.48) TDP1CA1CA9CA12HSP90AA1
SCHEMBL13627919 0.87 ACHE (0.53) UBE2NCA1CA2CA9CA12
SCHEMBL13627917 0.87 ACHE (0.52) CA1CA2CA9CA12HSP90AA1
SCHEMBL13627932 0.86 CA1 (0.59) UBE2NTDP1CA1CA2CA9
SCHEMBL13627908 0.86 CA1 (0.58) UBE2NTDP1CA1CA2CA9
SCHEMBL13627897 0.85 UBE2N (0.63) UBE2NTDP1CA1CA2CA9
SCHEMBL13627872 0.85 HSP90AA1 (0.56) CA1CA2CA9CA12HSP90AA1
SCHEMBL13627940 0.84 CHRM5 (0.51) UBE2NCA1CA2CA9CA12

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 UBE2N 1915/4885TDP1 1524/4885CA1 3628/4885

“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.