SCHEMBL13628168

SCHEMBL13628168

O=C(NCc1ccc(F)cc1)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 1/20 0.42
POLB P06746 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ROCK2 O75116 1/20 0.41
MAPT P10636 6/20 0.41
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13628171 0.95 POLB (0.46) DRD2POLBNPC1RAB9ANPSR1
SCHEMBL13628184 0.93 ALDH1A1 (0.44) POLBNPC1RAB9ANPSR1ROCK2
SCHEMBL14269979 0.92 POLB (0.42) DRD2POLBNPC1RAB9ANPSR1
SCHEMBL13628181 0.90 MAPT (0.44) DRD2POLBNPC1RAB9ANPSR1
SCHEMBL13628172 0.90 LMNA (0.42) DRD2POLBNPC1RAB9ANPSR1
SCHEMBL13628185 0.90 PKM (0.47) DRD2DRD3POLBNPC1RAB9A
SCHEMBL13628176 0.90 POLB (0.40) POLBNPC1RAB9ANPSR1MAPT
SCHEMBL13628183 0.89 POLB (0.41) POLBNPC1RAB9ANPSR1ROCK2
SCHEMBL13628175 0.89 DRD2 (0.45) DRD2POLBNPC1RAB9ANPSR1
SCHEMBL13628180 0.89 POLB (0.43) POLBNPC1RAB9ANPSR1ROCK2

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 4729/4885DRD3 4640/4885POLB 2623/4885

“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.