SCHEMBL13628249

SCHEMBL13628249

O=C(O)c1ccc(CNc2ccc3c(c2)/C(=N/O)C(=O)N3Cc2cc(F)cc3c2OCOC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK8 P45983 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAOA P21397 1/20 0.36
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
CXCR5 P32302 1/20 0.34
APEX1 P27695 1/20 0.34
SERPINE1 P05121 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL13628242 0.93 MAOA (0.42) GAANPC1RAB9APOLBNPSR1
SCHEMBL13628250 0.91 MAPK8 (0.37) GAANPC1RAB9APOLBNPSR1
SCHEMBL13911068 0.88 INSR (0.38) GAANPC1RAB9APOLBNPSR1
SCHEMBL13628251 0.85 TSHR (0.37) GAANPC1RAB9APOLBNPSR1
SCHEMBL13910957 0.83 ALDH1A1 (0.38) GAANPC1RAB9APOLBNPSR1
SCHEMBL13628258 0.83 MAPK8 (0.36) GAANPC1RAB9APOLBNPSR1
SCHEMBL13628028 0.83 MMP13 (0.44) GAANPC1RAB9APOLBNPSR1
SCHEMBL13628070 0.82 NPC1 (0.36) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628248 0.82 NPC1 (0.38) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL21067347 0.81 MAPK8 (0.40) NPC1RAB9APOLBNPSR1MAPK8

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 5 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
EP-1175399-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) VERTEX PHARMA (US) 2009-03-11 EP 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 GAA 1987/4885NPC1 1715/4885RAB9A 3486/4885

“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.