SCHEMBL13628218

SCHEMBL13628218

Nc1cccc(-c2ccc3c(c2)/C(=N/O)C(=O)N3Cc2cc(F)cc3c2OCOC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.34
CXCR5 P32302 1/20 0.33
PRF1 P14222 1/20 0.33
CHRM5 P08912 3/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM1 P11229 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CA12 O43570 1/20 0.30

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
SCHEMBL13628285 0.95 PRF1 (0.35) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13198007 0.92 NPC1 (0.40) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13628226 0.90 MAPK8 (0.40) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13628065 0.88 NPC1 (0.37) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13910814 0.88 PRF1 (0.32) PRF1
SCHEMBL13627961 0.87 MAPK8 (0.40) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13628217 0.87 CYP11B2 (0.37) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13628150 0.87 MAPK8 (0.38) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13628222 0.86 MAPK8 (0.36) MAPK8NPC1RAB9AKDM4EHCRTR1
SCHEMBL13628214 0.86 MAPK8 (0.37) MAPK8NPC1RAB9AKDM4EHCRTR1

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 MAPK8 58/4885NPC1 1715/4885RAB9A 3486/4885

“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.