SCHEMBL3353720

SCHEMBL3353720

Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(Oc4ccc(F)cc4)cc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.41
DGAT1 O75907 2/20 0.38
KDR P35968 3/20 0.36
MET P08581 3/20 0.36
FLT3 P36888 2/20 0.36
CSF1R P07333 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
AXL P30530 2/20 0.36
ALK Q9UM73 1/20 0.35
FYN P06241 2/20 0.35
BTK Q06187 1/20 0.34
SCN4A P35499 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
PFKFB2 O60825 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33

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
SCHEMBL3349945 0.92 LRRK2 (0.40) KITDGAT1KDRMETFYN
SCHEMBL3355528 0.91 KDR (0.41) DGAT1KDRFLT3FYNBTK
SCHEMBL3346649 0.89 DGAT1 (0.33) KITDGAT1KDRFLT3FYN
SCHEMBL3349620 0.85 BRD4 (0.36) DGAT1KDRFLT3AXLFYN
SCHEMBL3353330 0.85 DGAT1 (0.43) KITDGAT1KDRFLT3CSF1R
SCHEMBL3352910 0.85 CYP19A1 (0.35) DGAT1METBRD4CREBBPPDK2
SCHEMBL13539153 0.84 DGAT1 (0.35) DGAT1KDRFLT3BRD4CREBBP
SCHEMBL3346630 0.84 BRD4 (0.37) KITDGAT1KDRMETCSF1R
SCHEMBL3349611 0.84 BRD4 (0.36) DGAT1KDRMETFLT3BRD4
SCHEMBL3353967 0.83 MET (0.40) KITDGAT1KDRMETFLT3

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 KIT 2318/4885DGAT1 2813/4885KDR 3945/4885
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 KIT 2318/4885DGAT1 2813/4885KDR 3945/4885

“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.