SCHEMBL3352910

SCHEMBL3352910

CCCCOc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DGAT1 O75907 4/20 0.34
BRD4 O60885 5/20 0.33
CREBBP Q92793 1/20 0.33
CCL2 P13500 1/20 0.32
PDK2 Q15119 4/20 0.32
TLR7 Q9NYK1 1/20 0.32
MET P08581 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
TTK P33981 1/20 0.31
GRM4 Q14833 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
SCHEMBL3347367 0.97 DGAT1 (0.34) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3349850 0.96 PDK2 (0.34) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3349611 0.95 BRD4 (0.36) DGAT1BRD4CREBBPCCL2PDK2
SCHEMBL3346630 0.92 BRD4 (0.37) DGAT1BRD4CREBBPCCL2MET
SCHEMBL3353967 0.90 MET (0.40) DGAT1BRD4CREBBPPDK2MET
SCHEMBL13539153 0.88 DGAT1 (0.35) DGAT1BRD4CREBBPPDK2CCNA2
SCHEMBL3352871 0.87 DGAT1 (0.36) DGAT1BRD4CREBBP
SCHEMBL3348925 0.86 DGAT1 (0.41) DGAT1BRD4CREBBPMETTTK
SCHEMBL3355020 0.86 DGAT1 (0.33) DGAT1BRD4CREBBP
SCHEMBL3350094 0.86 ALKBH1 (0.38) DGAT1BRD4CREBBPPDK2

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 CYP19A1 4300/4885CYP1A2 4220/4885CYP3A4 4639/4885
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 CYP19A1 4300/4885CYP1A2 4220/4885CYP3A4 4639/4885

“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.