SCHEMBL5380287

SCHEMBL5380287

c1cc(OCCC2CCCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.71
CLK2 P49760 3/20 0.71
DYRK1A Q13627 3/20 0.71
GAK O14976 1/20 0.71
DYRK3 O43781 1/20 0.71
JAK2 O60674 1/20 0.71
PRKD3 O94806 1/20 0.71
MAP4K4 O95819 1/20 0.71
NQO2 P16083 1/20 0.71
CSNK2A2 P19784 1/20 0.71
FECH P22830 1/20 0.71
JAK1 P23458 1/20 0.71
TYK2 P29597 1/20 0.71
MAPK9 P45984 1/20 0.71
CSNK1A1 P48729 1/20 0.71
CSNK1D P48730 1/20 0.71
CSNK1E P49674 1/20 0.71
CLK1 P49759 1/20 0.71
GSK3B P49841 1/20 0.71
JAK3 P52333 1/20 0.71

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
SCHEMBL4604747 0.87 CLK2 (0.67) MAPK8CLK2DYRK1AGAKDYRK3
SCHEMBL5373329 0.86 CLK2 (0.68) MAPK8CLK2DYRK1AGAKDYRK3
SCHEMBL5375708 0.86 GAK (0.62) MAPK8CLK2DYRK1AGAKDYRK3
SCHEMBL7532858 0.83 MAPK8 (0.71) MAPK8CLK2DYRK1AGAKDYRK3
SCHEMBL5380905 0.83 MAPK8 (0.71) MAPK8CLK2DYRK1AGAKDYRK3
Cc-401 SCHEMBL4604749 0.83 CLK2 (1.00) MAPK8CLK2DYRK1AGAKDYRK3
SCHEMBL8253744 0.83 CLK2 (1.00) MAPK8CLK2DYRK1AGAKDYRK3
Cc-401 SCHEMBL30290855 0.83 CLK2 (1.00) MAPK8CLK2DYRK1AGAKDYRK3
Cc-401 SCHEMBL23924447 0.82 CLK2 (0.98) MAPK8CLK2DYRK1AGAKDYRK3
Cc-401 SCHEMBL30198024 0.82 CLK2 (0.98) MAPK8CLK2DYRK1AGAKDYRK3

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US claimed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1395363-A2 ONE-STEP PRODUCTION OF 1,3-PROPANEDIOL FROM ETHYLENE OXIDE AND SYNGAS WITH A CATALYST WITH A N-HETEROCYCLIC LIGAND SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-03-10 EP disclosed
US-20030204118-A1 One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand KNIFTON JOHN FREDERICK (US) 2003-10-30 US disclosed
US-6586643-B2 Heating under pressure mixture of ethylene oxide, carbon monoxide, hydrogen, inert reaction solvent, and catalyst composition comprising non-ligated cobalt carbonyl compound and N-heterocyclic-ligated ruthenium carbonyl compound SHELL OIL COMPANY 2003-07-01 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
US-20030060668-A1 One-step production of 1, 3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SHELL OIL COMPANY 2003-03-27 US disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
WO-2002094425-A2 ONE-STEP PRODUCTION OF 1,3-PROPANEDIOL FROM ETHYLENE OXIDE AND SYNGAS WITH A CATALYST WITH A N-HETEROCYCLIC LIGAND SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-11-28 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO 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 (4 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-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPK8 25/4885CLK2 322/4885DYRK1A 784/4885
US-20030060668-A1 One-step production of 1, 3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SCO2, CYP2U1, CORO1A MAPK8 3497/4885CLK2 807/4885DYRK1A 221/4885
US-20030204118-A1 One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SCO2, DUOX1, SYNGR2 MAPK8 3237/4885CLK2 1776/4885DYRK1A 190/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPK8 25/4885CLK2 322/4885DYRK1A 784/4885

“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.