SCHEMBL13628274

SCHEMBL13628274

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N/O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
POLB P06746 3/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 3/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NTRK1 P04629 1/20 0.35
CXCR5 P32302 1/20 0.35
MCHR1 Q99705 1/20 0.35
CCR3 P51677 1/20 0.35
RPS6KA2 Q15349 2/20 0.34
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MCL1 Q07820 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
SCHEMBL13628196 0.93 NPC1 (0.43) KMT2ANPC1POLBMAPK14MEN1
SCHEMBL13628195 0.92 RPS6KA2 (0.40) NPC1POLBMAPK14RAB9ANPSR1
SCHEMBL13628199 0.89 MAPT (0.40) KMT2ANPC1POLBMAPK14MEN1
SCHEMBL13628022 0.88 MEN1 (0.43) KMT2ANPC1POLBMAPK14MEN1
SCHEMBL13628197 0.87 NPC1 (0.39) KMT2ANPC1POLBCASP3SENP8
SCHEMBL13628170 0.87 MAPT (0.45) KMT2ANPC1POLBMAPK14MEN1
SCHEMBL13637453 0.86 RPS6KA2 (0.42) KMT2ANPC1CASP3SENP7MAPK14
SCHEMBL13637629 0.86 MAPT (0.42) KMT2ANPC1POLBCASP3SENP7
SCHEMBL13628202 0.86 NPC1 (0.42) KMT2ANPC1POLBMEN1RAB9A
SCHEMBL13628200 0.85 NPC1 (0.45) KMT2ANPC1POLBMEN1RAB9A

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 KMT2A 3594/4885NPC1 1715/4885POLB 2623/4885

“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.