SCHEMBL4523577

SCHEMBL4523577

O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3ccc(Cl)nc3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cn[nH]c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.54
CLK2 P49760 5/20 0.54
CLK3 P49761 4/20 0.54
IKBKE Q14164 1/20 0.53
TBK1 Q9UHD2 1/20 0.53
GSK3B P49841 2/20 0.53
WNT1 P04628 10/20 0.53
ROCK2 O75116 1/20 0.47
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK1G2 P78368 1/20 0.47
CDK5 Q00535 1/20 0.47
MAP4K2 Q12851 1/20 0.47
PRKAA1 Q13131 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47

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
SCHEMBL955986 0.93 DYRK1A (0.60) DYRK1ACLK2CLK3WNT1
SCHEMBL952896 0.91 DYRK1A (0.62) DYRK1ACLK2CLK3IKBKETBK1
SCHEMBL81169 0.90 DYRK1A (0.45) DYRK1ACLK2CLK3IKBKETBK1
SCHEMBL6221809 0.80 DYRK1A (0.50) DYRK1ACLK2CLK3IKBKETBK1
SCHEMBL5716427 0.79 DYRK1A (0.82) DYRK1ACLK2CLK3WNT1
Hydrochloric Acid SCHEMBL952393 0.78 DYRK1A (0.80) DYRK1ACLK2CLK3WNT1
SCHEMBL23534329 0.77 DYRK1A (0.58) DYRK1ACLK2CLK3GSK3BWNT1
SCHEMBL14792760 0.76 DYRK1A (0.67) DYRK1ACLK2CLK3WNT1
SCHEMBL23533919 0.75 DYRK1A (0.63) DYRK1ACLK2CLK3GSK3BWNT1
SCHEMBL16163124 0.74 ITK (0.62) DYRK1ACLK2CLK3GSK3BWNT1

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 425/4885CLK2 162/4885CLK3 369/4885

“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.