SCHEMBL13628017

SCHEMBL13628017

COc1cc(CN2C(=O)/C(=N\O)c3cc(NC(=O)Nc4cccc(F)c4)ccc32)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
PTGER3 P43115 5/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HIF1A Q16665 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL13628016 0.87 CA12 (0.56) CA12CA1CA2CA9PTGER3
SCHEMBL13627977 0.84 TRPA1 (0.43) CA12CA1CA2CA9
SCHEMBL13628021 0.83 MEN1 (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13628043 0.81 EDNRA (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13628057 0.80 KDM4E (0.46) CA12CA1CA2CA9MAPT
SCHEMBL13628033 0.80 RAB9A (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13628051 0.80 NPC1 (0.50) CA2CA9MAPTMEN1KMT2A
SCHEMBL13627966 0.77 UCHL3 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL13627958 0.76 ALDH1A1 (0.52) MAPTMEN1KMT2ASMN1; SMN2BRD4
SCHEMBL13628020 0.76 MEN1 (0.54) CA2CA9MAPTMEN1KMT2A

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.