SCHEMBL13628188

SCHEMBL13628188

CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
MAPK8 P45983 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CXCR5 P32302 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNA5 P22460 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13628176 0.89 POLB (0.40) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628232 0.88 POLB (0.39) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628237 0.88 POLB (0.39) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628228 0.87 POLB (0.38) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628239 0.86 TP53 (0.41) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628240 0.86 MAPT (0.46) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628171 0.86 POLB (0.46) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628168 0.86 DRD2 (0.42) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628180 0.85 POLB (0.43) NPSR1NPC1RAB9APOLBGALR3
SCHEMBL13628170 0.85 MAPT (0.45) NPSR1NPC1RAB9APOLBALDH1A1

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 NPSR1 4090/4885NPC1 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.