SCHEMBL13628197

SCHEMBL13628197

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.39
HTR2C P28335 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK8 P45983 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1F P30939 2/20 0.37
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
HTR1B P28222 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36

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 0.95 RPS6KA2 (0.40) NPC1RAB9AROCK2MAPK14MAPK8
SCHEMBL13637453 0.92 RPS6KA2 (0.42) NPC1RAB9ASMN1; SMN2ROCK2MAPK14
SCHEMBL13628207 0.92 MEN1 (0.41) NPC1RAB9AL3MBTL1HDAC1HDAC2
SCHEMBL13628200 0.92 NPC1 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK8
SCHEMBL13637629 0.90 MAPT (0.42) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL13628301 0.90 MAPK8 (0.34) NPC1RAB9AROCK2MAPK14MAPK8
SCHEMBL13628193 0.90 ALDH1A1 (0.45) NPC1RAB9AMAPK8HTR1FKMT2A
SCHEMBL13628170 0.90 MAPT (0.45) NPC1RAB9ASMN1; SMN2MAPK14MEN1
SCHEMBL13628199 0.89 MAPT (0.40) NPC1RAB9ASMN1; SMN2ROCK2MAPK14
SCHEMBL13628152 0.89 MAPK8 (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1HTR2C

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 3486/4885SMN1; SMN2 3544/4885

“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.