SCHEMBL5945656

SCHEMBL5945656

O=C(Nc1cccnc1)c1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.64
WNT1 P04628 11/20 0.64
CLK2 P49760 4/20 0.62
CLK3 P49761 4/20 0.62
ROCK1 Q13464 1/20 0.58
KCNMA1 Q12791 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP11B2 P19099 3/20 0.55
CYP11B1 P15538 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
SCHEMBL5945798 0.86 FLT3 (0.70) DYRK1ACLK2ROCK1
SCHEMBL5945670 0.86 DYRK1A (0.65) DYRK1AWNT1CLK2CLK3
SCHEMBL14785616 0.86 DYRK1A (0.64) DYRK1AWNT1CLK2CLK3NPC1
SCHEMBL14785604 0.85 DYRK1A (0.84) DYRK1AWNT1CLK2CLK3
SCHEMBL28291152 0.84 FLT3 (0.74) DYRK1AWNT1CLK2CLK3
SCHEMBL14792180 0.80 DYRK1A (0.74) DYRK1AWNT1CLK2CLK3
SCHEMBL14803375 0.80 DYRK1A (0.74) DYRK1AWNT1CLK2CLK3
SCHEMBL14785593 0.79 DYRK1A (0.77) DYRK1AWNT1CLK2CLK3
SCHEMBL6223964 0.79 DYRK1A (0.78) DYRK1AWNT1CLK2CLK3
SCHEMBL14792839 0.79 DYRK1A (0.78) DYRK1AWNT1CLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
JP-2006500348-A 2006-01-05 JP claimed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP claimed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 WO claimed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US disclosed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP disclosed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 WO 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-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 DYRK1A 835/4885WNT1 1110/4885CLK2 890/4885

“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.