SCHEMBL13628202

SCHEMBL13628202

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 3/20 0.40
GRM5 P41594 1/20 0.39
TP53 P04637 1/20 0.39
ROCK2 O75116 3/20 0.39
HTT P42858 1/20 0.38
GNRHR P30968 1/20 0.37
PTK2B Q14289 1/20 0.37
NPSR1 Q6W5P4 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 0.92 RPS6KA2 (0.40) NPC1RAB9AKDM4EPOLBROCK2
SCHEMBL13628197 0.89 NPC1 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13628199 0.88 MAPT (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13628170 0.87 MAPT (0.45) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13628302 0.86 RAB9A (0.42) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13628196 0.86 NPC1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13628274 0.86 KMT2A (0.37) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13628200 0.85 NPC1 (0.45) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13628185 0.85 PKM (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13637453 0.85 RPS6KA2 (0.42) NPC1RAB9AMEN1KMT2AKDM4E

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 3486/4885MEN1 4320/4885

“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.