SCHEMBL13628239

SCHEMBL13628239

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
MAPK14 Q16539 1/20 0.38
HTR7 P34969 1/20 0.38
DRD2 P14416 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 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
SCHEMBL13628237 0.92 POLB (0.39) TP53POLBNPC1RAB9ANPSR1
SCHEMBL13628176 0.90 POLB (0.40) POLBNPC1RAB9ANPSR1ALDH1A1
SCHEMBL13628240 0.89 MAPT (0.46) TP53POLBNPC1RAB9ANPSR1
SCHEMBL13628228 0.88 POLB (0.38) POLBNPC1RAB9ANPSR1ALDH1A1
SCHEMBL13628233 0.87 CACNA1G (0.49) POLBALDH1A1DRD2CACNA1G
SCHEMBL13628232 0.87 POLB (0.39) TP53POLBNPC1RAB9ANPSR1
SCHEMBL13628238 0.87 POLB (0.36) TP53POLBNPC1RAB9ANPSR1
SCHEMBL13628241 0.87 CACNA1G (0.51) POLBDRD2CACNA1G
SCHEMBL13628187 0.87 POLB (0.51) POLBNPSR1ALDH1A1HSD17B10MAPK14
SCHEMBL13628171 0.86 POLB (0.46) POLBNPC1RAB9ANPSR1ALDH1A1

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 TP53 405/4885POLB 2623/4885NPC1 1715/4885

“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.