SCHEMBL13628175

SCHEMBL13628175

COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
ROCK2 O75116 2/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ROCK1 Q13464 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL13628180 0.91 POLB (0.43) ROCK2MAPTTP53NPC1POLB
SCHEMBL13628172 0.89 LMNA (0.42) DRD2ROCK2MAPTTP53LMNA
SCHEMBL13628171 0.89 POLB (0.46) DRD2MAPTALDH1A1NPC1POLB
SCHEMBL13628168 0.89 DRD2 (0.42) DRD2ROCK2MAPTTP53LMNA
SCHEMBL13628232 0.88 POLB (0.39) MAPTTP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL13628176 0.88 POLB (0.40) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL13628179 0.86 SMN1; SMN2 (0.53) MAPTTP53SMN1; SMN2POLBNAMPT
SCHEMBL13628237 0.86 POLB (0.39) MAPTTP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL14269979 0.86 POLB (0.42) DRD2ROCK2MAPTLMNANPC1
SCHEMBL13628228 0.86 POLB (0.38) MAPTALDH1A1SMN1; SMN2NPC1POLB

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 DRD2 4729/4885ROCK2 246/4885MAPT 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.