SCHEMBL13628199

SCHEMBL13628199

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ROCK2 O75116 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.37
IDO1 P14902 1/20 0.37
ACHE P22303 1/20 0.37
MAPK14 Q16539 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) RAB9ANPC1ROCK2ACHEMAPK14
SCHEMBL13628200 0.90 NPC1 (0.45) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL13628197 0.89 NPC1 (0.39) RAB9ANPC1SMN1; SMN2TP53ROCK2
SCHEMBL13628196 0.89 NPC1 (0.43) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL13628274 0.89 KMT2A (0.37) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL13628170 0.89 MAPT (0.45) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL13628198 0.88 KMT2A (0.43) MAPTRAB9ANPC1HPGDRXFP1
SCHEMBL13628201 0.88 RAB9A (0.38) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL13628304 0.88 RAB9A (0.41) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL13628202 0.88 NPC1 (0.42) MAPTRAB9ANPC1SMN1; SMN2TP53

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

“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.