SCHEMBL3349945

SCHEMBL3349945

Cc1ccc(Oc2cnc3c(c2)c(-c2cnn(C)c2)cn3COCC[Si](C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
DGAT1 O75907 6/20 0.37
BTK Q06187 2/20 0.35
KDR P35968 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 1/20 0.34
PFKFB2 O60825 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33
FYN P06241 1/20 0.33
TNK2 Q07912 1/20 0.33
KIT P10721 1/20 0.33
MET P08581 1/20 0.32
RIPK1 Q13546 1/20 0.32
PDK2 Q15119 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
TTK P33981 1/20 0.32

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
SCHEMBL3353720 0.92 KIT (0.41) DGAT1BTKKDRCCNCCDK8
SCHEMBL3355528 0.91 KDR (0.41) DGAT1BTKKDRBRD4CREBBP
SCHEMBL3346649 0.90 DGAT1 (0.33) DGAT1BTKKDRCCNCCDK8
SCHEMBL3353330 0.90 DGAT1 (0.43) LRRK2DGAT1BTKKDRBRD4
SCHEMBL3349620 0.86 BRD4 (0.36) LRRK2DGAT1KDRCCNCCDK8
SCHEMBL8472530 0.86 DGAT1 (0.39) LRRK2DGAT1BTKKDRBRD4
SCHEMBL3352910 0.85 CYP19A1 (0.35) DGAT1BRD4CREBBPMETPDK2
SCHEMBL13539153 0.85 DGAT1 (0.35) LRRK2DGAT1KDRBRD4CREBBP
SCHEMBL3346630 0.85 BRD4 (0.37) LRRK2DGAT1BTKKDRBRD4
SCHEMBL3349611 0.84 BRD4 (0.36) LRRK2DGAT1KDRBRD4CREBBP

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 LRRK2 157/4885DGAT1 2813/4885BTK 2577/4885
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 LRRK2 157/4885DGAT1 2813/4885BTK 2577/4885

“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.