SCHEMBL13628317

SCHEMBL13628317

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.38
UCHL1 P09936 1/20 0.36
UCHL3 P15374 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CTRC Q99895 1/20 0.35
CXCR5 P32302 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.32

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
SCHEMBL21067347 0.91 MAPK8 (0.40) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13627978 0.91 MAPK8 (0.40) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13627961 0.89 MAPK8 (0.40) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628226 0.89 MAPK8 (0.40) MAPK8UCHL1UCHL3HCRTR1HCRTR2
SCHEMBL14269960 0.89 UCHL3 (0.43) MAPK8UCHL1UCHL3HCRTR1HCRTR2
SCHEMBL14269986 0.89 POLB (0.39) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628213 0.89 UCHL1 (0.40) MAPK8UCHL1UCHL3HCRTR1HCRTR2
SCHEMBL13198007 0.87 NPC1 (0.40) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628324 0.86 TSHR (0.39) MAPK8UCHL1UCHL3HCRTR1HCRTR2
SCHEMBL13628284 0.85 MAPK8 (0.38) MAPK8HCRTR1HCRTR2NPC1RAB9A

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 MAPK8 58/4885UCHL1 1562/4885UCHL3 1695/4885

“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.