SCHEMBL8443733

SCHEMBL8443733

CCCCCc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.37
▸ CYP3A4 P08684 7/20 0.36
▸ TNIK Q9UKE5 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CIT O14578 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAP3K11 Q16584 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATP4A P20648 1/20 0.34
▸ ATP4B P51164 1/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL8442292 0.92 ROCK1 (0.43) ROCK1CYP3A4TNIKHTR2CCDK5
SCHEMBL8443573 0.91 HTR2C (0.46) ROCK1CYP3A4HTR2CCNR2JAK2
SCHEMBL3347662 0.86 ROCK1 (0.37) ROCK1CYP3A4TNIKHTR2CCDK5
SCHEMBL8443938 0.83 CYP3A4 (0.37) ROCK1CYP3A4PDPK1
SCHEMBL1798655 0.81 CYP3A4 (0.44) ROCK1CYP3A4TNIKHTR2CPDPK1
SCHEMBL1799165 0.78 AXL (0.49) TNIKMAP3K11
SCHEMBL1799160 0.78 HTR2C (0.38) TNIKHTR2CCDK5CDK5R1JAK2
SCHEMBL8442733 0.78 ROCK1 (0.43) ROCK1CYP3A4TNIKHTR2CCDK5
SCHEMBL1802085 0.77 JAK3 (0.39) TNIKHTR2CCDK5CDK5R1JAK2
SCHEMBL8442699 0.77 HTR2C (0.48) ROCK1CYP3A4HTR2CCNR2JAK2

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 ROCK1 418/4885CYP3A4 4639/4885TNIK 93/4885
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 ROCK1 418/4885CYP3A4 4639/4885TNIK 93/4885

“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.

Send feedback