SCHEMBL13628195

SCHEMBL13628195

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CXCR5 P32302 1/20 0.39
MAPK14 Q16539 3/20 0.38
TRPV1 Q8NER1 3/20 0.37
MAPK8 P45983 1/20 0.37
ROCK2 O75116 2/20 0.36
ACHE P22303 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RORC P51449 1/20 0.35

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 0.95 NPC1 (0.39) NPC1RAB9APOLBNPSR1CXCR5
SCHEMBL13628199 0.92 MAPT (0.40) NPC1RAB9APOLBNPSR1MAPK14
SCHEMBL13628274 0.92 KMT2A (0.37) RPS6KA2NPC1RAB9APOLBNPSR1
SCHEMBL13628202 0.92 NPC1 (0.42) NPC1RAB9APOLBNPSR1ROCK2
SCHEMBL13637453 0.91 RPS6KA2 (0.42) RPS6KA2NPC1RAB9ANPSR1MAPK14
SCHEMBL13628302 0.91 RAB9A (0.42) NPC1RAB9APOLBNPSR1CXCR5
SCHEMBL13628196 0.90 NPC1 (0.43) RPS6KA2NPC1RAB9APOLBMAPK14
SCHEMBL13628207 0.90 MEN1 (0.41) NPC1RAB9APOLB
SCHEMBL13628200 0.90 NPC1 (0.45) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628170 0.90 MAPT (0.45) NPC1RAB9APOLBNPSR1CXCR5

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 RPS6KA2 374/4885NPC1 1715/4885RAB9A 3486/4885

“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.