SCHEMBL3348998

SCHEMBL3348998

CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)O)n3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 3/20 0.43
▸ SGK1 O00141 3/20 0.43
▸ ROCK1 Q13464 15/20 0.42
▸ CYP3A4 P08684 12/20 0.42
▸ CIT O14578 1/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ RPS6KA4 O75676 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL13505143 0.92 ROCK1 (0.41) CAMKK2SGK1ROCK1CYP3A4CIT
SCHEMBL3347662 0.85 ROCK1 (0.37) CAMKK2SGK1ROCK1CYP3A4JAK2
SCHEMBL8442733 0.84 ROCK1 (0.43) ROCK1CYP3A4CITJAK2MAPK1
SCHEMBL8442699 0.83 HTR2C (0.48) ROCK1CYP3A4JAK2FLT3GSK3B
SCHEMBL13539023 0.82 ROCK1 (0.39) CAMKK2SGK1ROCK1CYP3A4CIT
SCHEMBL1799923 0.80 DYRK1A (0.50) CAMKK2SGK1ROCK1CYP3A4JAK2
SCHEMBL8471584 0.78 ROCK1 (0.38) SGK1ROCK1CYP3A4CITJAK2
SCHEMBL1796715 0.77 AXL (0.61) CAMKK2SGK1ROCK1RPS6KA5RPS6KB1
SCHEMBL1799783 0.74 MAPK8 (0.38) CAMKK2SGK1ROCK1CYP3A4JAK2
SCHEMBL3348310 0.74 IL2 (0.39) SGK1ROCK1CYP3A4CITJAK2

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 13 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-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 CAMKK2 51/4885SGK1 309/4885ROCK1 418/4885
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 CAMKK2 51/4885SGK1 309/4885ROCK1 418/4885

“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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