SCHEMBL13628240

SCHEMBL13628240

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.41
POLB P06746 4/20 0.39
NAMPT P43490 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
THRB P10828 2/20 0.35
CACNA1G O43497 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL13628228 0.92 POLB (0.38) MAPTPOLBNAMPTNPC1RAB9A
SCHEMBL13628237 0.92 POLB (0.39) MAPTTP53POLBNAMPTNPC1
SCHEMBL13628176 0.90 POLB (0.40) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL13628239 0.89 TP53 (0.41) MAPTTP53POLBNAMPTNPC1
SCHEMBL13628233 0.87 CACNA1G (0.49) POLBCACNA1GALDH1A1
SCHEMBL13628232 0.87 POLB (0.39) MAPTTP53POLBNPC1RAB9A
SCHEMBL13628238 0.87 POLB (0.36) MAPTTP53POLBNPC1RAB9A
SCHEMBL13628187 0.87 POLB (0.51) POLBNPSR1KMT2ASMN1; SMN2CACNA1G
SCHEMBL13628241 0.87 CACNA1G (0.51) POLBCACNA1G
SCHEMBL13628168 0.86 DRD2 (0.42) MAPTTP53POLBLMNANPC1

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 MAPT 1666/4885TP53 405/4885POLB 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.