SCHEMBL3353816

SCHEMBL3353816

Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(OCc4ccccc4)cc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.45
PRMT5 O14744 4/20 0.44
GRM4 Q14833 1/20 0.39
GPR39 O43194 1/20 0.38
BRD4 O60885 2/20 0.37
LRRK2 Q5S007 1/20 0.37
ALK Q9UM73 1/20 0.36
ALKBH1 Q13686 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR3 P22607 1/20 0.35
RIPK2 O43353 1/20 0.35
CREBBP Q92793 1/20 0.35
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34

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
SCHEMBL3350094 0.92 ALKBH1 (0.38) DGAT1PRMT5GPR39BRD4ALK
SCHEMBL3355528 0.89 KDR (0.41) DGAT1BRD4CREBBP
SCHEMBL3346630 0.86 BRD4 (0.37) DGAT1GRM4BRD4LRRK2FGFR1
SCHEMBL3349611 0.85 BRD4 (0.36) DGAT1BRD4LRRK2CREBBPMET
SCHEMBL3352910 0.85 CYP19A1 (0.35) DGAT1GRM4BRD4CREBBPMET
SCHEMBL3353967 0.85 MET (0.40) DGAT1GRM4BRD4LRRK2FGFR1
SCHEMBL13539153 0.84 DGAT1 (0.35) DGAT1BRD4LRRK2CREBBP
SCHEMBL3347367 0.84 DGAT1 (0.34) DGAT1BRD4LRRK2CREBBPMET
SCHEMBL3352871 0.84 DGAT1 (0.36) DGAT1BRD4LRRK2FGFR1FGFR3
SCHEMBL3349620 0.84 BRD4 (0.36) DGAT1PRMT5BRD4LRRK2CREBBP

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 2813/4885PRMT5 793/4885GRM4 1813/4885
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 2813/4885PRMT5 793/4885GRM4 1813/4885

“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.