SCHEMBL13628203

SCHEMBL13628203

COc1ccccc1C(=O)Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CASP3 P42574 3/20 0.40
MAPK14 Q16539 1/20 0.39
ACHE P22303 2/20 0.39
BRPF1 P55201 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL13628303 0.93 RAB9A (0.42) NPC1RAB9AMAPTTP53TSHR
SCHEMBL13628302 0.91 RAB9A (0.42) NPC1RAB9AMAPTTP53POLB
SCHEMBL13628304 0.90 RAB9A (0.41) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL13628306 0.90 ALDH1A1 (0.41) NPC1RAB9AMAPTTP53TSHR
SCHEMBL13637629 0.89 MAPT (0.42) NPC1RAB9AMAPTTP53TSHR
SCHEMBL13628193 0.89 ALDH1A1 (0.45) NPC1RAB9AMAPTPOLBKMT2A
SCHEMBL13628201 0.88 RAB9A (0.38) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL13637453 0.88 RPS6KA2 (0.42) NPC1RAB9AMAPTTP53TSHR
SCHEMBL13628196 0.88 NPC1 (0.43) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL13628195 0.88 RPS6KA2 (0.40) NPC1RAB9APOLBMAPK14ACHE

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 NPC1 1715/4885RAB9A 3486/4885MAPT 1666/4885

“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.