SCHEMBL13628213

SCHEMBL13628213

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.40
UCHL3 P15374 2/20 0.40
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ALDH3A1 P30838 2/20 0.37
ALDH2 P05091 1/20 0.37
ACHE P22303 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
GALR3 O60755 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
SCHEMBL13628066 0.93 MAPK8 (0.36) UCHL1UCHL3MAPK8ALDH1A1ALDH3A1
SCHEMBL13627978 0.91 MAPK8 (0.40) MAPK8ALDH1A1ALDH3A1HCRTR1HCRTR2
SCHEMBL21067347 0.91 MAPK8 (0.40) MAPK8ALDH1A1ALDH3A1HCRTR1HCRTR2
SCHEMBL13627961 0.89 MAPK8 (0.40) MAPK8ALDH1A1HCRTR1HCRTR2CA1
SCHEMBL14269960 0.89 UCHL3 (0.43) UCHL1UCHL3MAPK8ALDH1A1ALDH3A1
SCHEMBL13628226 0.89 MAPK8 (0.40) UCHL1UCHL3MAPK8ALDH1A1ALDH3A1
SCHEMBL14269986 0.89 POLB (0.39) MAPK8ALDH1A1ACHEHCRTR1HCRTR2
SCHEMBL13628317 0.89 MAPK8 (0.38) UCHL1UCHL3MAPK8ALDH1A1HCRTR1
SCHEMBL13198007 0.87 NPC1 (0.40) MAPK8ALDH1A1HCRTR1HCRTR2NPC1
SCHEMBL13628324 0.86 TSHR (0.39) UCHL1UCHL3MAPK8ALDH1A1HCRTR1

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

“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.