SCHEMBL4513095

SCHEMBL4513095

O=C(NCc1cccnc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(NCc1cccnc1)c1n[nH]c2ccc(-c3cncs3)cc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.62
WNT1 P04628 11/20 0.60
GSK3B P49841 3/20 0.56
CLK2 P49760 2/20 0.56
CLK3 P49761 2/20 0.56
KCNH2 Q12809 1/20 0.56
ACHE P22303 1/20 0.55

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
SCHEMBL6221024 0.96 DYRK1A (0.56) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL6219544 0.92 DYRK1A (0.72) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20125806 0.86 DYRK1A (0.71) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL6221476 0.82 DYRK1A (0.67) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL83645 0.80 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20097427 0.80 DYRK1A (0.58) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL82407 0.78 DYRK1A (0.66) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL954666 0.78 KDM4E (0.64)
SCHEMBL14792058 0.77 DYRK1A (0.87) DYRK1AWNT1CLK2CLK3
SCHEMBL17095854 0.77 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US claimed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US claimed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 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-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 DYRK1A 425/4885WNT1 364/4885GSK3B 342/4885

“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.