SCHEMBL8442699

SCHEMBL8442699

CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCOCC4)n3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.48
▸ NTRK1 P04629 2/20 0.42
▸ WDR5 P61964 2/20 0.40
▸ KIT P10721 1/20 0.39
▸ ROCK1 Q13464 7/20 0.36
▸ CYP3A4 P08684 5/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ MARK3 P27448 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CSNK1G2 P78368 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36

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
SCHEMBL3347662 0.91 ROCK1 (0.37) HTR2CROCK1CYP3A4JAK2
SCHEMBL8442733 0.90 ROCK1 (0.43) HTR2CWDR5ROCK1CYP3A4JAK2
SCHEMBL8443573 0.86 HTR2C (0.46) HTR2CNTRK1WDR5KITROCK1
SCHEMBL1797469 0.83 HTR2C (0.53) HTR2CNTRK1WDR5KITROCK1
SCHEMBL13505143 0.83 ROCK1 (0.41) ROCK1CYP3A4JAK2FLT3GSK3B
SCHEMBL3348998 0.83 CAMKK2 (0.43) ROCK1CYP3A4JAK2FLT3GSK3B
SCHEMBL1801878 0.80 HTR2C (0.56) HTR2CNTRK1KITROCK1PLK4
SCHEMBL1801418 0.79 MAPK8 (0.47) HTR2CNTRK1WDR5KITROCK1
SCHEMBL8471584 0.79 ROCK1 (0.38) NTRK1ROCK1CYP3A4JAK2FLT1
SCHEMBL1801875 0.79 HTR2C (0.48) HTR2CNTRK1WDR5KITROCK1

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 HTR2C 3271/4885NTRK1 1216/4885WDR5 2695/4885
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 HTR2C 3271/4885NTRK1 1216/4885WDR5 2695/4885

“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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