SCHEMBL5946290

SCHEMBL5946290

O=C1NC(=O)C(N2CCc3ccccc32)=C1c1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.65
▸ GSK3A P49840 1/20 0.61
▸ CAMK2D Q13557 6/20 0.58
▸ PRKCB P05771 5/20 0.58
▸ PRKCA P17252 5/20 0.58
▸ PRKCH P24723 4/20 0.58
▸ PRKCE Q02156 4/20 0.58
▸ PRKCD Q05655 4/20 0.58
▸ PRKCQ Q04759 3/20 0.58
▸ CCNE2 O96020 2/20 0.58
▸ CDK4 P11802 2/20 0.58
▸ PRKACA P17612 2/20 0.58
▸ PRKACG P22612 2/20 0.58
▸ PRKACB P22694 2/20 0.58
▸ CCND1 P24385 2/20 0.58
▸ CCNE1 P24864 2/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ PRKCG P05129 2/20 0.58
▸ PRKCZ Q05513 2/20 0.58
▸ PRKD3 O94806 1/20 0.58

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
SCHEMBL30999985 0.78 GSK3B (0.81) GSK3BGSK3A
Ro-316233 SCHEMBL29373011 0.76 PRKCB (1.00) GSK3BCAMK2DPRKCBPRKCAPRKCH
Ro-316233 SCHEMBL624896 0.76 PRKCB (1.00) GSK3BCAMK2DPRKCBPRKCAPRKCH
SCHEMBL6586836 0.75 GSK3B (1.00) GSK3BGSK3ACDK2CCNB2CDK1
SCHEMBL13917970 0.75 PRKCB (0.78) GSK3BCAMK2DPRKCBPRKCAPRKCH
SCHEMBL2343710 0.74 CDK4 (0.63) GSK3BGSK3ACAMK2DPRKCBPRKCA
SCHEMBL30999951 0.74 GSK3B (1.00) GSK3BGSK3A
SCHEMBL6758855 0.73 CAMK2D (0.57) GSK3BCAMK2DPRKCBPRKCAPRKCH
SCHEMBL3908534 0.72 PRKCB (0.78) GSK3BCAMK2DPRKCBPRKCAPRKCH
SCHEMBL16939750 0.72 PRKCB (0.67) GSK3BCAMK2DPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199835-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS, INC. (CA) 2006-09-07 — — US disclosed
US-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 — — US disclosed
WO-2005014584-A8 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) 2005-09-09 — — WO 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-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-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
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-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-23 — — US 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-20060199835-A1 Neuroprotective and anti-proliferative compounds MKI67, NES, BCL2A1 GSK3B 1153/4885GSK3A 1394/4885CAMK2D 2375/4885
US-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors HABP2, SERPINC1, F7 GSK3B 2230/4885GSK3A 2654/4885CAMK2D 3450/4885

“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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