SCHEMBL13628217

SCHEMBL13628217

O=C1/C(=N\O)c2cc(-c3cccnc3)ccc2N1Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.37
CYP11B1 P15538 8/20 0.37
CHRM5 P08912 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPKAPK2 P49137 2/20 0.35
IKBKB O14920 1/20 0.35
JAK2 O60674 1/20 0.35
PRKCA P17252 1/20 0.35
AKT1 P31749 1/20 0.35
NEK2 P51955 1/20 0.35
CAMK4 Q16566 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13198007 0.91 NPC1 (0.40) CHRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628218 0.87 MAPK8 (0.37) CHRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628222 0.85 MAPK8 (0.36) CHRM5HCRTR1HCRTR2CYP1A2NPC1
SCHEMBL13628065 0.85 NPC1 (0.37) CHRM5HCRTR1HCRTR2CYP1A2NPC1
SCHEMBL21067347 0.84 MAPK8 (0.40) CHRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13627961 0.84 MAPK8 (0.40) CHRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13627978 0.84 MAPK8 (0.40) CHRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628214 0.83 MAPK8 (0.37) CYP11B2CYP11B1HCRTR1HCRTR2NPC1
SCHEMBL13910794 0.82 MAPK8 (0.35) HCRTR1HCRTR2NPC1RAB9AKDM4E
SCHEMBL13628285 0.82 PRF1 (0.35) CHRM5HCRTR1HCRTR2NPC1RAB9A

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 CYP11B2 3682/4885CYP11B1 3256/4885CHRM5 4815/4885

“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.