SCHEMBL8443889

SCHEMBL8443889

Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(CC4CCC5(CC4)OCCO5)cc23)cn1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ DGAT1 O75907 2/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL8443826 0.85 BRD4 (0.35) BRD4CREBBPDGAT1
SCHEMBL3349684 0.85 BRD4 (0.32) BRD4CREBBP
SCHEMBL3349689 0.85 BRD4 (0.32) BRD4CREBBP
SCHEMBL8443961 0.81 DGAT1 (0.30) BRD4CREBBPDGAT1
SCHEMBL3348925 0.77 DGAT1 (0.41) BRD4CREBBPDGAT1
SCHEMBL8472530 0.77 DGAT1 (0.39) BRD4CREBBPDGAT1
SCHEMBL2752565 0.77 BRD4 (0.34) BRD4CREBBP
SCHEMBL3347313 0.76 DGAT1 (0.36) BRD4CREBBPDGAT1
SCHEMBL8470002 0.76 DGAT1 (0.36) BRD4CREBBPDGAT1
SCHEMBL2753800 0.76 DGAT1 (0.41) BRD4CREBBPDGAT1CHEK1CCNA2

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 8 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-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-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
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 BRD4 1290/4885CREBBP 297/4885DGAT1 2813/4885
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 BRD4 1290/4885CREBBP 297/4885DGAT1 2813/4885

“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.

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