SCHEMBL13628016

SCHEMBL13628016

O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.56
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 6/20 0.56
MAPT P10636 3/20 0.50
TRPA1 O75762 1/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
KCNJ6 P48051 3/20 0.46
KCNJ5 P48544 3/20 0.46
KCNJ3 P48549 3/20 0.46
CDK8 P49336 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
PTGER3 P43115 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL13628017 0.87 CA12 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL13627936 0.83 TRPA1 (0.62) MAPTTRPA1ALDH1A1
SCHEMBL13628015 0.82 MEN1 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL13628027 0.82 MMP13 (0.66) CA12CA1CA2CA9MAPT
SCHEMBL13628019 0.81 CA1 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL13628018 0.81 CA12 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL13628032 0.81 MMP13 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL13627932 0.80 CA1 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL13628053 0.80 KDM4E (0.53) CA12CA1CA2CA9MAPT
SCHEMBL13627946 0.79 UBE2N (0.56) CA12CA1CA2CA9TRPA1

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 CA12 4791/4885CA1 3628/4885CA2 3142/4885

“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.