SCHEMBL3353967

SCHEMBL3353967

COCCOc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.40
GRM4 Q14833 2/20 0.36
DGAT1 O75907 3/20 0.34
KIT P10721 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
TTK P33981 2/20 0.33
KDR P35968 3/20 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
FLT3 P36888 1/20 0.32
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
FGFR4 P22455 3/20 0.31
FGFR3 P22607 3/20 0.31
LRRK2 Q5S007 2/20 0.31
PDK2 Q15119 1/20 0.31
CCNA2 P20248 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
SCHEMBL3349611 0.91 BRD4 (0.36) METDGAT1BRD4CREBBPKDR
SCHEMBL3352910 0.90 CYP19A1 (0.35) METGRM4DGAT1BRD4CREBBP
SCHEMBL3346630 0.90 BRD4 (0.37) METGRM4DGAT1KITBRD4
SCHEMBL3347367 0.89 DGAT1 (0.34) METDGAT1BRD4CREBBPLRRK2
SCHEMBL3349850 0.88 PDK2 (0.34) METDGAT1BRD4CREBBPPDK2
SCHEMBL13539153 0.88 DGAT1 (0.35) DGAT1BRD4CREBBPTTKKDR
SCHEMBL3352871 0.87 DGAT1 (0.36) DGAT1BRD4CREBBPKDRFLT3
SCHEMBL3348925 0.86 DGAT1 (0.41) METDGAT1BRD4CREBBPTTK
SCHEMBL3355020 0.86 DGAT1 (0.33) DGAT1BRD4CREBBPKDRFGFR4
SCHEMBL3350094 0.86 ALKBH1 (0.38) DGAT1BRD4CREBBPKDREGFR

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 MET 2703/4885GRM4 1813/4885DGAT1 2813/4885
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 MET 2703/4885GRM4 1813/4885DGAT1 2813/4885

“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.