SCHEMBL13628236

SCHEMBL13628236

O=C(NCCc1c[nH]cn1)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 1/20 0.34
CACNA1G O43497 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL13628186 0.89 NPC1 (0.40) POLBNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL13628237 0.85 POLB (0.39) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628233 0.84 CACNA1G (0.49) POLBCACNA1GALDH1A1
SCHEMBL13628176 0.84 POLB (0.40) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628241 0.84 CACNA1G (0.51) POLBCACNA1G
SCHEMBL13628187 0.84 POLB (0.51) POLBNPSR1KMT2ASMN1; SMN2CACNA1G
SCHEMBL13628239 0.84 TP53 (0.41) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628240 0.84 MAPT (0.46) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628179 0.83 SMN1; SMN2 (0.53) POLBKMT2ASMN1; SMN2THRBMAPT
SCHEMBL13628171 0.82 POLB (0.46) GALR3NR2F2POLBNPC1RAB9A

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 GALR3 3911/4885NR2F2 3108/4885POLB 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.