SCHEMBL5686122

SCHEMBL5686122

O=C1NC(=O)C(n2cnc3ccccc32)=C1c1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.74
▸ CAMK2D Q13557 13/20 0.58
▸ PRKACA P17612 5/20 0.57
▸ PRKACG P22612 4/20 0.57
▸ PRKACB P22694 4/20 0.57
▸ CDK4 P11802 3/20 0.57
▸ CCND1 P24385 3/20 0.57
▸ PRKCB P05771 3/20 0.57
▸ PRKCA P17252 3/20 0.57
▸ CCNE2 O96020 2/20 0.57
▸ CCNE1 P24864 2/20 0.57
▸ CDK2 P24941 2/20 0.57
▸ PRKD3 O94806 2/20 0.57
▸ PIM1 P11309 2/20 0.57
▸ PRKCH P24723 2/20 0.57
▸ PRKCE Q02156 2/20 0.57
▸ PRKCQ Q04759 2/20 0.57
▸ PRKCD Q05655 2/20 0.57
▸ CCNB2 O95067 1/20 0.57
▸ ABL1 P00519 1/20 0.57

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
SCHEMBL5686043 0.83 SIRT2 (0.62) GSK3BCAMK2DPRKACAPRKACGPRKACB
SCHEMBL6099473 0.81 GSK3B (0.52) GSK3BCAMK2DIDH1
SCHEMBL5946249 0.79 GSK3B (0.71) GSK3BCAMK2DPRKACAPRKACGPRKACB
SCHEMBL6529456 0.78 GSK3B (0.55) GSK3BCAMK2DPRKACAPRKACGPRKACB
SCHEMBL30999964 0.77 IDH1 (0.49) GSK3BIDH1
Ro-316233 SCHEMBL29373011 0.75 PRKCB (1.00) GSK3BCAMK2DPRKACAPRKACGPRKACB
Ro-316233 SCHEMBL624896 0.75 PRKCB (1.00) GSK3BCAMK2DPRKACAPRKACGPRKACB
SCHEMBL13917970 0.74 PRKCB (0.78) GSK3BCAMK2DPRKACAPRKACGPRKACB
SCHEMBL5229864 0.74 CAMK2D (0.59) GSK3BCAMK2DPRKACAPRKACGPRKACB
SCHEMBL5946111 0.73 IDH1 (0.74) GSK3BCAMK2DPRKACAPRKACGPRKACB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 — — US claimed
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby WYETH 2006-11-09 — — US disclosed
WO-2005028678-A9 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH CORP (US) 2006-08-31 — — WO disclosed
EP-1636388-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY Wyeth (US) 2006-03-22 — — EP disclosed
WO-2005014584-A9 3-(INDOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES,3-(BENZIMIDAZOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES, AND 3-(INDOLIN-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES; THEIR PREPARATION AND USE AS MODULATORS OF APOPTOSIS AEGERA THERAPEUTICS INC (CA) 2005-06-23 — — WO disclosed
WO-2005028678-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH (US) 2005-03-31 — — WO disclosed
WO-2005014584-A1 3-(INDOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES,3-(BENZIMIDAZOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES, AND 3-(INDOLIN-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES; THEIR PREPARATION AND USE AS MODULATORS OF APOPTOSIS AEGERA THERAPEUTICS INC. (CA) 2005-02-17 — — WO disclosed
US-6719520-B2 FOR INHIBITION OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3); TREATMENT AND PROPHYLAXIS FOR DIABETES, CHRONIC NEURODEGENERATIVE CONDITIONS, MOOD DISORDERS SUCH AS SCHIZOPHRENIA AND MANIC DEPRESSION AND HAIR LOSS AND CANCER SMITHKLINE BEECHAM CORPORATION 2004-04-13 — — US disclosed
US-20040010031-A1 Novel method and compounds SMITHKLINE BEECHAM P.L.C. 2004-01-15 — — US disclosed
EP-1119548-A1 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-08-01 — — EP disclosed
US-RE36736-E Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 2000-06-13 — — US disclosed
WO-2000021927-A2 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 — — WO disclosed
EP-0328026-B1 SUBSTITUTED PYRROLES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 — — EP disclosed
US-5057614-A Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 1991-10-15 — — US disclosed
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 — — 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-20040010031-A1 Novel method and compounds GSK3A, GSK3B, GSKIP GSK3B 2/4885CAMK2D 1010/4885PRKACA 2150/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 GSK3B 2078/4885CAMK2D 82/4885PRKACA 670/4885

“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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