SCHEMBL3354356

SCHEMBL3354356

CN1C=C(c2c[nH]c3ncc(CC4CCC(O)CC4)cc23)CN1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.35
▸ CLK1 P49759 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ TNIK Q9UKE5 4/20 0.32
▸ IL2 P60568 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ ALK Q9UM73 5/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ MAP3K11 Q16584 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL3375624 0.89 JAK2 (0.33) CLK1DYRK1ATNIKMAP4K1ALK
SCHEMBL3349746 0.88 CLK1 (0.34) CLK1DYRK1ATNIKALKMAPK1
SCHEMBL3354372 0.83 GCK (0.33) GCKCLK1DYRK1ATNIKIL2
SCHEMBL8442672 0.80 ALK (0.52) ALK
SCHEMBL16374569 0.73 MAPK8 (0.45) IL2MAP4K1JAK2JAK1TYK2
SCHEMBL3375627 0.72 ALK (0.33) CLK1DYRK1ATNIKMAP4K1ALK
SCHEMBL8443735 0.70 ALK (0.53) ALK
SCHEMBL8442741 0.70 ALK (0.53) ALK
SCHEMBL3347156 0.70 ALK (0.53) ALK
SCHEMBL8445064 0.69 TNIK (0.40) CLK1DYRK1ATNIKALKMAP3K11

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 5 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-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
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 GCK 895/4885CLK1 645/4885DYRK1A 2224/4885
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 GCK 895/4885CLK1 645/4885DYRK1A 2224/4885

“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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