SCHEMBL13628160

SCHEMBL13628160

O=C(Cc1ccccc1F)Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
P2RX4 Q99571 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
CXCR5 P32302 1/20 0.34
MMP13 P45452 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL13628308 0.89 MAPK8 (0.39) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628159 0.89 MAPK8 (0.44) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628302 0.88 RAB9A (0.42) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628163 0.88 KDM4E (0.43) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628152 0.87 MAPK8 (0.39) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628164 0.87 MAPK8 (0.38) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13637555 0.87 MAPK8 (0.40) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628155 0.87 KDM4E (0.38) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628309 0.87 LMNA (0.38) MAPK8NPC1RAB9AALDH1A1TDP1
SCHEMBL13628206 0.87 TDP1 (0.38) MAPK8NPC1RAB9AALDH1A1TDP1

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 58/4885NPC1 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.