SCHEMBL3352681

SCHEMBL3352681

CCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.51
PDPK1 O15530 1/20 0.48
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3351082 0.99 ALK (0.50) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL3351161 0.97 ALK (0.52) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL3347888 0.88 ALK (0.54) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL3348226 0.87 ALK (0.52) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL3348103 0.83 ALK (0.52) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL8443933 0.83 ALK (0.54) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL3352645 0.83 ALK (0.63) ALKPDPK1
SCHEMBL13539154 0.82 ALK (0.53) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL8442710 0.82 ALK (0.53) ALKPDPK1MAPK8MAPK9MAPK10
SCHEMBL8443776 0.82 ALK (0.53) ALKPDPK1MAPK8MAPK9MAPK10

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 ALK 3869/4885PDPK1 166/4885MAPK8 119/4885
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 ALK 3869/4885PDPK1 166/4885MAPK8 119/4885

“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.