SCHEMBL3351132

SCHEMBL3351132

Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(OCC4CCCCC4)cc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.39
BRD4 O60885 2/20 0.36
MET P08581 1/20 0.34
CREBBP Q92793 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
AXL P30530 1/20 0.32
IRAK1 P51617 3/20 0.32
TYRO3 Q06418 1/20 0.32
RIPK2 O43353 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL3348925 0.95 DGAT1 (0.41) DGAT1BRD4METCREBBPIRAK4
SCHEMBL3349526 0.87 CREBBP (0.34) DGAT1BRD4CREBBPAXLTYRO3
SCHEMBL3346630 0.86 BRD4 (0.37) DGAT1BRD4METCREBBPIRAK4
SCHEMBL3349611 0.85 BRD4 (0.36) DGAT1BRD4METCREBBPKDR
SCHEMBL3352910 0.84 CYP19A1 (0.35) DGAT1BRD4METCREBBP
SCHEMBL3353967 0.84 MET (0.40) DGAT1BRD4METCREBBPFGFR1
SCHEMBL13539153 0.84 DGAT1 (0.35) DGAT1BRD4CREBBPAURKBKDR
SCHEMBL3352871 0.83 DGAT1 (0.36) DGAT1BRD4CREBBPFGFR1FGFR2
SCHEMBL3347367 0.83 DGAT1 (0.34) DGAT1BRD4METCREBBP
SCHEMBL3349850 0.82 PDK2 (0.34) DGAT1BRD4METCREBBP

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
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 US disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP 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 (2 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-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION NFKBIA, CHUK, MAP3K1 DGAT1 2813/4885BRD4 1290/4885MET 2703/4885
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation NFKBIA, CHUK, MAP3K1 DGAT1 2813/4885BRD4 1290/4885MET 2703/4885

“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.