SCHEMBL3353330

SCHEMBL3353330

Cc1cccc(Oc2cnc3c(c2)c(-c2cnn(C)c2)cn3COCC[Si](C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.43
BRD4 O60885 2/20 0.36
CREBBP Q92793 1/20 0.36
FYN P06241 3/20 0.35
KDR P35968 3/20 0.35
CSF1R P07333 2/20 0.35
KIT P10721 2/20 0.35
FLT1 P17948 2/20 0.35
AXL P30530 2/20 0.35
TYRO3 Q06418 2/20 0.35
BTK Q06187 2/20 0.35
LYN P07948 2/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL3355528 0.91 KDR (0.41) DGAT1BRD4CREBBPFYNKDR
SCHEMBL3349945 0.90 LRRK2 (0.40) DGAT1BRD4CREBBPFYNKDR
SCHEMBL3349620 0.86 BRD4 (0.36) DGAT1BRD4CREBBPFYNKDR
SCHEMBL3353720 0.85 KIT (0.41) DGAT1BRD4CREBBPFYNKDR
SCHEMBL3346649 0.84 DGAT1 (0.33) DGAT1BRD4CREBBPFYNKDR
SCHEMBL8472530 0.84 DGAT1 (0.39) DGAT1BRD4CREBBPKDRBTK
SCHEMBL13539153 0.83 DGAT1 (0.35) DGAT1BRD4CREBBPKDRAURKA
SCHEMBL3346630 0.83 BRD4 (0.37) DGAT1BRD4CREBBPFYNKDR
SCHEMBL3349611 0.82 BRD4 (0.36) DGAT1BRD4CREBBPKDREGFR
SCHEMBL3353816 0.82 DGAT1 (0.45) DGAT1BRD4CREBBPAXLFGFR1

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 2813/4885BRD4 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.