SCHEMBL13628186

SCHEMBL13628186

O=C(NCCc1ccccn1)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
NAMPT P43490 3/20 0.40
RAB9A P51151 4/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
ROCK2 O75116 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL13628236 0.89 GALR3 (0.36) NPC1RAB9AALDH1A1POLBNPSR1
SCHEMBL13628237 0.87 POLB (0.39) NPC1NAMPTRAB9AHTTALDH1A1
SCHEMBL13628176 0.85 POLB (0.40) NPC1RAB9AHTTALDH1A1POLB
SCHEMBL13628239 0.85 TP53 (0.41) NPC1NAMPTRAB9AALDH1A1POLB
SCHEMBL13628240 0.85 MAPT (0.46) NPC1NAMPTRAB9AALDH1A1POLB
SCHEMBL13628171 0.85 POLB (0.46) NPC1RAB9AALDH1A1POLBNPSR1
SCHEMBL13628184 0.84 ALDH1A1 (0.44) NPC1RAB9AHTTALDH1A1POLB
SCHEMBL13628233 0.84 CACNA1G (0.49) ALDH1A1POLBDRD2
SCHEMBL13628179 0.84 SMN1; SMN2 (0.53) NAMPTPOLBSMN1; SMN2THRBMAPT
SCHEMBL13628185 0.84 PKM (0.47) NPC1NAMPTRAB9AALDH1A1POLB

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 NPC1 1715/4885NAMPT 1566/4885RAB9A 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.