SCHEMBL13676706

SCHEMBL13676706

O=C1NC(NCCN2CCOCC2)=N/C1=C\c1c[nH]c2ncc(-c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ KDR P35968 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ ACP1 P24666 2/20 0.40
▸ ATR Q13535 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ PLCG1 P19174 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38

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
SCHEMBL13676707 0.96 GSK3B (0.45) GSK3BKDRPIK3CDPIK3CAPIK3CB
SCHEMBL5090060 0.85 CDC7 (0.42) GSK3BCYP1A2CYP3A4CYP2D6CLK4
SCHEMBL5090064 0.85 CDC7 (0.42) GSK3BCYP1A2CYP3A4CYP2D6CLK4
SCHEMBL1713800 0.83 DYRK3 (0.46) GSK3BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1713805 0.83 DYRK3 (0.46) GSK3BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1714356 0.81 AXL (0.41) GSK3BTNIK
SCHEMBL1714357 0.81 AXL (0.41) GSK3BTNIK
SCHEMBL13676708 0.80 AXL (0.39) GSK3BTNIKCYP3A4
SCHEMBL5094611 0.77 CHEK1 (0.44) —
SCHEMBL5094615 0.77 CHEK1 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 — — US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 — — US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 — — US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 — — 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 (1 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 GSK3B 444/4885KDR 2344/4885PIK3CD 53/4885

“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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