SCHEMBL3347367

SCHEMBL3347367

CCCCCOc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.34
BRD4 O60885 6/20 0.33
PDK2 Q15119 5/20 0.33
CREBBP Q92793 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MET P08581 1/20 0.31
LRRK2 Q5S007 1/20 0.30
CCL2 P13500 1/20 0.30

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
SCHEMBL3349850 0.99 PDK2 (0.34) DGAT1BRD4PDK2CREBBPCYP19A1
SCHEMBL3352910 0.97 CYP19A1 (0.35) DGAT1BRD4PDK2CREBBPCYP19A1
SCHEMBL3349611 0.94 BRD4 (0.36) DGAT1BRD4PDK2CREBBPMET
SCHEMBL3346630 0.91 BRD4 (0.37) DGAT1BRD4CREBBPMETLRRK2
SCHEMBL13539153 0.87 DGAT1 (0.35) DGAT1BRD4PDK2CREBBPLRRK2
SCHEMBL3352871 0.86 DGAT1 (0.36) DGAT1BRD4CREBBPLRRK2
SCHEMBL3348925 0.85 DGAT1 (0.41) DGAT1BRD4CREBBPMET
SCHEMBL3350094 0.85 ALKBH1 (0.38) DGAT1BRD4PDK2CREBBP
SCHEMBL3353816 0.84 DGAT1 (0.45) DGAT1BRD4CREBBPMETLRRK2
SCHEMBL3355528 0.83 KDR (0.41) DGAT1BRD4PDK2CREBBP

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 1290/4885PDK2 1185/4885
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 1290/4885PDK2 1185/4885

“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.