SCHEMBL13628167

SCHEMBL13628167

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.42
RAB9A P51151 10/20 0.41
NPC1 O15118 9/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GRM5 P41594 1/20 0.38
MAPK14 Q16539 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL13628195 0.89 RPS6KA2 (0.40) RAB9ANPC1POLBNPSR1MAPK14
SCHEMBL13628302 0.88 RAB9A (0.42) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL13628197 0.88 NPC1 (0.39) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL13628161 0.87 RAB9A (0.43) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13628152 0.86 MAPK8 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL13628306 0.86 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL13628304 0.86 RAB9A (0.41) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13628158 0.86 MAOA (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13628193 0.85 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL13628308 0.85 MAPK8 (0.39) RAB9ANPC1ALDH1A1MEN1KMT2A

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 GRM1 3558/4885RAB9A 3486/4885NPC1 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.