SCHEMBL5945653

SCHEMBL5945653

O=C(Nc1ccccc1)c1n[nH]c2ccc(N3CCOCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.59
CDK2 P24941 2/20 0.57
CCNA2 P20248 1/20 0.57
CCNA1 P78396 1/20 0.57
MAP4K4 O95819 2/20 0.57
NTRK1 P04629 1/20 0.57
ATR Q13535 2/20 0.54
CLK2 P49760 2/20 0.52
DYRK1A Q13627 2/20 0.52
CLK3 P49761 1/20 0.52
PRKAA1 Q13131 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51

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
SCHEMBL5945775 0.90 FLT3 (0.61) FLT3CDK2CCNA2CCNA1MAP4K4
SCHEMBL29732797 0.88 FLT3 (0.74) FLT3CDK2CCNA2CCNA1MAP4K4
SCHEMBL5945708 0.88 FLT3 (0.74) FLT3CDK2CCNA2CCNA1MAP4K4
SCHEMBL28776034 0.87 FLT3 (0.56) FLT3MAP4K4NTRK1ATRCLK2
SCHEMBL14792098 0.85 DYRK1A (0.65) CDK2MAP4K4CLK2DYRK1ACLK3
SCHEMBL5945712 0.84 PRKAG1 (0.68) FLT3PRKAA1MAPTPRKAB2PRKAG1
SCHEMBL29732649 0.83 MAPT (0.61) FLT3MAP4K4NTRK1MAPTCSNK2A1
SCHEMBL28776027 0.83 LRRK2 (0.53) FLT3MAP4K4NTRK1MAPTLRRK2
SCHEMBL28775985 0.83 MAPT (0.61) FLT3MAP4K4NTRK1MAPTCSNK2A1
SCHEMBL6220865 0.81 DYRK1A (0.68) CLK2DYRK1ACLK3GSK3B

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 8 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-2005014554-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS MAPKAP KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-17 WO 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 164/4885CDK2 5/4885CCNA2 31/4885

“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.