SCHEMBL3375624

SCHEMBL3375624

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.33
▸ JAK1 P23458 5/20 0.33
▸ ALK Q9UM73 4/20 0.33
▸ TYK2 P29597 3/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL3354356 0.89 GCK (0.35) JAK2JAK1ALKTYK2DYRK1A
SCHEMBL3349746 0.85 CLK1 (0.34) JAK2JAK1ALKTYK2DYRK1A
SCHEMBL3375627 0.84 ALK (0.33) JAK2JAK1ALKTYK2DYRK1A
SCHEMBL8442164 0.81 ALK (0.49) ALKLRRK2MAPK8
SCHEMBL3354372 0.72 GCK (0.33) JAK2JAK1ALKTYK2DYRK1A
SCHEMBL8442672 0.69 ALK (0.52) ALKLRRK2MAPK8
SCHEMBL8442741 0.68 ALK (0.53) ALKMAPK8
SCHEMBL8443735 0.68 ALK (0.53) ALKMAPK8
SCHEMBL8443737 0.67 ALK (0.52) ALKCDK2MAPK8IRAK4
SCHEMBL8443974 0.65 ALK (0.50) ALKMAPK8

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 JAK2 1391/4885JAK1 1013/4885ALK 3869/4885
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 JAK2 1391/4885JAK1 1013/4885ALK 3869/4885

“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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