Sugi Predict

Sugi Predict / Compounds / SCHEMBL3349526

SCHEMBL3349526

SCHEMBL3349526

Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(OC4CCCC4)cc23)cn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TTK P33981 2/20 0.33
▸ ACVR2A P27037 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ AXL P30530 6/20 0.33
▸ TYRO3 Q06418 6/20 0.33
▸ MERTK Q12866 6/20 0.33
▸ DGAT1 O75907 3/20 0.33
▸ SSTR2 P30874 2/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL3351132 0.87 DGAT1 (0.39) CREBBPBRD4AXLTYRO3DGAT1
SCHEMBL3348925 0.86 DGAT1 (0.41) CREBBPBRD4TTKDGAT1RIPK2
SCHEMBL3346630 0.85 BRD4 (0.37) CREBBPBRD4TTKMAPK8AXL
SCHEMBL13539153 0.85 DGAT1 (0.35) CREBBPBRD4TTKDGAT1
SCHEMBL3349611 0.84 BRD4 (0.36) CREBBPBRD4DGAT1
SCHEMBL3352910 0.83 CYP19A1 (0.35) CREBBPBRD4TTKDGAT1
SCHEMBL3353967 0.83 MET (0.40) CREBBPBRD4TTKDGAT1
SCHEMBL3352871 0.83 DGAT1 (0.36) CREBBPBRD4DGAT1
SCHEMBL3347367 0.83 DGAT1 (0.34) CREBBPBRD4DGAT1
SCHEMBL3349850 0.82 PDK2 (0.34) CREBBPBRD4DGAT1

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 CREBBP 297/4885BRD4 1290/4885TTK 383/4885
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 CREBBP 297/4885BRD4 1290/4885TTK 383/4885

“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.