SCHEMBL13628159

SCHEMBL13628159

O=C(Cc1cccs1)Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
POLB P06746 5/20 0.41
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SHMT2 P34897 1/20 0.34
BLM P54132 1/20 0.34
HPGD P15428 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
SCHEMBL13628160 0.89 MAPK8 (0.42) MAPK8POLBTDP1RAB9ASMN1; SMN2
SCHEMBL13628308 0.87 MAPK8 (0.39) MAPK8POLBTDP1RAB9ASMN1; SMN2
SCHEMBL13628163 0.86 KDM4E (0.43) MAPK8POLBTDP1RAB9ASMN1; SMN2
SCHEMBL13628152 0.85 MAPK8 (0.39) MAPK8POLBTDP1RAB9ASMN1; SMN2
SCHEMBL13628164 0.85 MAPK8 (0.38) MAPK8POLBTDP1RAB9AMAPT
SCHEMBL13628155 0.85 KDM4E (0.38) MAPK8POLBTDP1RAB9ASMN1; SMN2
SCHEMBL13628309 0.85 LMNA (0.38) MAPK8POLBTDP1RAB9ASMN1; SMN2
SCHEMBL13637555 0.85 MAPK8 (0.40) MAPK8POLBTDP1RAB9AMAPT
SCHEMBL13628206 0.85 TDP1 (0.38) MAPK8POLBTDP1RAB9ASMN1; SMN2
SCHEMBL13628195 0.85 RPS6KA2 (0.40) MAPK8POLBRAB9ANPC1NPSR1

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 58/4885POLB 2623/4885TDP1 1524/4885

“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.