SCHEMBL3347313

SCHEMBL3347313

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.36
BRD4 O60885 3/20 0.35
CREBBP Q92793 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAP4K4 O95819 1/20 0.32
ALK Q9UM73 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
MET P08581 1/20 0.32
MARK3 P27448 1/20 0.32
FYN P06241 1/20 0.31
AURKA O14965 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
SCHEMBL8472530 0.88 DGAT1 (0.39) DGAT1BRD4CREBBPLRRK2EGFR
SCHEMBL8470002 0.87 DGAT1 (0.36) DGAT1BRD4CREBBPLRRK2MAP4K4
SCHEMBL2753800 0.87 DGAT1 (0.41) DGAT1BRD4CREBBPLRRK2EGFR
SCHEMBL13539153 0.85 DGAT1 (0.35) DGAT1BRD4CREBBPLRRK2EGFR
SCHEMBL3346630 0.85 BRD4 (0.37) DGAT1BRD4CREBBPLRRK2MAP4K4
SCHEMBL3349611 0.84 BRD4 (0.36) DGAT1BRD4CREBBPLRRK2EGFR
SCHEMBL3352910 0.83 CYP19A1 (0.35) DGAT1BRD4CREBBPMET
SCHEMBL3353967 0.83 MET (0.40) DGAT1BRD4CREBBPLRRK2EGFR
SCHEMBL8443817 0.83 CHUK (0.38) DGAT1BRD4CREBBPSRCKDR
SCHEMBL3347969 0.83 DGAT1 (0.34) DGAT1BRD4CREBBPLRRK2MET

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 11 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-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-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-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
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
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
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 1290/4885CREBBP 297/4885
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 1290/4885CREBBP 297/4885

“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.