SCHEMBL13628018

SCHEMBL13628018

O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK8 P45983 1/20 0.39
PPIA P62937 1/20 0.38
CXCR5 P32302 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MAPT P10636 3/20 0.37
PTGER3 P43115 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDR P35968 1/20 0.35
SHMT2 P34897 1/20 0.35
HTR2A P28223 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
SCHEMBL13628170 0.87 MAPT (0.45) NPC1RAB9AMEN1KMT2ACXCR5
SCHEMBL13628028 0.86 MMP13 (0.44) NPC1RAB9AMEN1KMT2AMAPK8
SCHEMBL13628045 0.86 EDNRA (0.41) NPC1RAB9AMEN1KMT2AMAPK8
SCHEMBL13627978 0.85 MAPK8 (0.40) NPC1RAB9AMAPK8CXCR5POLB
SCHEMBL21067347 0.85 MAPK8 (0.40) NPC1RAB9AMAPK8CXCR5POLB
SCHEMBL13628214 0.85 MAPK8 (0.37) NPC1RAB9AMEN1KMT2AMAPK8
SCHEMBL13628059 0.85 MAPK8 (0.38) NPC1RAB9AMEN1KMT2AMAPK8
SCHEMBL13628030 0.84 IMPDH2 (0.42) CA12CA9NPC1RAB9AMEN1
SCHEMBL13628026 0.84 GAA (0.42) NPC1RAB9AKMT2AMAPK8CXCR5
SCHEMBL13628258 0.84 MAPK8 (0.36) NPC1RAB9AMAPK8CXCR5POLB

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 CA12 4791/4885CA1 3628/4885CA2 3142/4885

“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.