SCHEMBL5945708

SCHEMBL5945708

O=C(Nc1ccc(N2CCOCC2)cc1)c1n[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.74
MAP4K4 O95819 1/20 0.69
NTRK1 P04629 1/20 0.69
CDK2 P24941 3/20 0.64
CCNA2 P20248 1/20 0.64
CCNA1 P78396 1/20 0.64
CSNK2A1 P68400 2/20 0.60
ROCK1 Q13464 1/20 0.59
ABCB1 P08183 1/20 0.59
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL29732797 1.00 FLT3 (0.74) FLT3MAP4K4NTRK1CDK2CCNA2
SCHEMBL5945653 0.88 FLT3 (0.59) FLT3MAP4K4NTRK1CDK2CCNA2
SCHEMBL29732810 0.87 FLT3 (0.73) FLT3MAP4K4NTRK1CDK2CCNA2
SCHEMBL28776034 0.85 FLT3 (0.56) FLT3MAP4K4NTRK1CSNK2A1ROCK1
SCHEMBL5945722 0.84 FLT3 (0.68) FLT3MAP4K4NTRK1CDK2CCNA2
SCHEMBL5945702 0.83 FLT3 (0.61) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL28776022 0.82 FLT3 (0.53) FLT3MAP4K4NTRK1ROCK1ALDH1A1
SCHEMBL29732853 0.82 FLT3 (0.53) FLT3MAP4K4NTRK1ROCK1ALDH1A1
SCHEMBL29732649 0.81 MAPT (0.61) FLT3MAP4K4NTRK1CSNK2A1TDP1
SCHEMBL28776027 0.81 LRRK2 (0.53) FLT3MAP4K4NTRK1MAPT

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 FLT3 164/4885MAP4K4 1268/4885NTRK1 1491/4885

“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.