SCHEMBL13628187

SCHEMBL13628187

O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.47
GBA1 P04062 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
CACNA1G O43497 2/20 0.43
CD274 Q9NZQ7 1/20 0.43
HTT P42858 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL13628233 0.95 CACNA1G (0.49) POLBALDH1A1CACNA1G
SCHEMBL13628241 0.94 CACNA1G (0.51) POLBCACNA1G
SCHEMBL13628237 0.89 POLB (0.39) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL13628240 0.87 MAPT (0.46) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL13628243 0.85 TP53 (0.38) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL13628228 0.85 POLB (0.38) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL13628168 0.85 DRD2 (0.42) POLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL13628171 0.85 POLB (0.46) POLBALDH1A1KMT2ANPSR1
SCHEMBL13628232 0.84 POLB (0.39) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL13628238 0.84 POLB (0.36) POLBKMT2ASMN1; SMN2NPSR1NPBWR1

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 2623/4885ALDH1A1 4310/4885HSD17B10 3985/4885

“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.