SCHEMBL3348977

SCHEMBL3348977

COc1cnc2c(c1)c(-c1cn[nH]c1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.48
DRD2 P14416 7/20 0.48
HTR2A P28223 6/20 0.48
HTR7 P34969 3/20 0.48
BMPR1B O00238 1/20 0.42
KDR P35968 1/20 0.42
BMPR1A P36894 1/20 0.42
ACVRL1 P37023 1/20 0.42
TGFBR2 P37173 1/20 0.42
ACVR1 Q04771 1/20 0.42
BMPR2 Q13873 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
BRD4 O60885 1/20 0.41
ELAVL1 Q15717 1/20 0.39

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
SCHEMBL13745818 0.90 KDR (0.51) HTR6DRD2HTR2AHTR7BMPR1B
SCHEMBL8443781 0.87 BRD4 (0.44) HTR6DRD2HTR2AHTR7BRD4
SCHEMBL2752527 0.85 HTR6 (0.41) HTR6DRD2HTR2AHTR7KDR
SCHEMBL13746286 0.84 AAK1 (0.50) BRD4
SCHEMBL13505060 0.83 HTR6 (0.46) HTR6DRD2HTR2AHTR7BRD4
SCHEMBL1051384 0.83 HTR6 (0.46) HTR6DRD2HTR2AHTR7BRD4
SCHEMBL8443783 0.82 BCL2L1 (0.41) HTR6DRD2HTR2AHTR7BRD4
SCHEMBL3348822 0.82 HTR6 (0.40) HTR6DRD2HTR2AHTR7BRD4
SCHEMBL8480893 0.82 BRD4 (0.38) HTR6DRD2HTR2AHTR7BRD4
SCHEMBL8469870 0.82 BRD4 (0.38) HTR6DRD2HTR2AHTR7BRD4

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 12 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
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-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
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
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 HTR6 1614/4885DRD2 4289/4885HTR2A 3137/4885
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 HTR6 1614/4885DRD2 4289/4885HTR2A 3137/4885

“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.