SCHEMBL13628300

SCHEMBL13628300

O=Cc1ccc(C(=O)Nc2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
MAPK8 P45983 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ROCK2 O75116 1/20 0.33
CXCR5 P32302 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
GBA1 P04062 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL13628197 0.93 NPC1 (0.39) GALR3NR2F2MAPK8NPC1RAB9A
SCHEMBL13628195 0.92 RPS6KA2 (0.40) GALR3NR2F2MAPK8NPC1RAB9A
SCHEMBL13628301 0.91 MAPK8 (0.34) GALR3NR2F2MAPK8NPC1RAB9A
SCHEMBL13637453 0.89 RPS6KA2 (0.42) NPC1RAB9ANPSR1MEN1KMT2A
SCHEMBL13628207 0.88 MEN1 (0.41) NPC1RAB9APOLBL3MBTL1MEN1
SCHEMBL13637629 0.87 MAPT (0.42) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL13628170 0.86 MAPT (0.45) NPC1RAB9APOLBNPSR1MEN1
SCHEMBL13628199 0.86 MAPT (0.40) NPC1RAB9APOLBNPSR1MEN1
SCHEMBL13628152 0.86 MAPK8 (0.39) GALR3NR2F2MAPK8NPC1RAB9A
SCHEMBL13628302 0.85 RAB9A (0.42) MAPK8NPC1RAB9APOLBNPSR1

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 2 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-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 3108/4885MAPK8 58/4885

“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.