SCHEMBL13628237

SCHEMBL13628237

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
KMT2A Q03164 2/20 0.37
NAMPT P43490 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 4/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
CACNA1G O43497 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HTR7 P34969 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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 0.94 POLB (0.40) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628239 0.92 TP53 (0.41) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628240 0.92 MAPT (0.46) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628238 0.90 POLB (0.36) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628228 0.90 POLB (0.38) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628233 0.89 CACNA1G (0.49) POLBCACNA1GALDH1A1
SCHEMBL13628232 0.89 POLB (0.39) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628241 0.89 CACNA1G (0.51) POLBCACNA1G
SCHEMBL13628187 0.89 POLB (0.51) POLBNPSR1KMT2ASMN1; SMN2HTT
SCHEMBL13628171 0.88 POLB (0.46) POLBNPC1RAB9ANPSR1GALR3

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 POLB 2623/4885NPC1 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.