SCHEMBL4489337

SCHEMBL4489337

Nc1n[nH]c2cc(-c3ccsc3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.64
JAK2 O60674 4/20 0.61
GSK3B P49841 2/20 0.54
CDK2 P24941 2/20 0.54
GSK3A P49840 1/20 0.54
CHEK1 O14757 1/20 0.53
CYP1A2 P05177 1/20 0.53
KCNH2 Q12809 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
AURKA O14965 3/20 0.49
TGFBR1 P36897 3/20 0.49
AURKB Q96GD4 3/20 0.49
ROCK1 Q13464 2/20 0.49
CHUK O15111 1/20 0.49
RPS6KB1 P23443 1/20 0.49
KDR P35968 1/20 0.49
SYK P43405 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL2661587 0.87 JAK2 (0.64) PDPK1JAK2CDK2GSK3ACHEK1
SCHEMBL6485242 0.78 PDPK1 (1.00) PDPK1JAK2GSK3BCDK2CHEK1
SCHEMBL421269 0.78 JAK2 (0.77) PDPK1JAK2GSK3BCDK2AURKA
SCHEMBL3361070 0.76 JAK2 (1.00) PDPK1JAK2GSK3BCDK2GSK3A
SCHEMBL12907241 0.76 JAK2 (1.00) PDPK1JAK2GSK3BCDK2GSK3A
SCHEMBL6488855 0.75 JAK2 (0.72) PDPK1JAK2CDK2CHEK1AURKA
SCHEMBL3359710 0.75 FGFR1 (0.72) PDPK1JAK2GSK3BCDK2GSK3A
SCHEMBL6479941 0.75 JAK2 (0.72) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL4494073 0.75 JAK2 (0.72) PDPK1JAK2GSK3BCDK2GSK3A
SCHEMBL18764608 0.74 MKNK1 (0.72) PDPK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP disclosed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP disclosed
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN disclosed
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US disclosed
US-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2006-05-18 US disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN disclosed
EP-1506176-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-02-16 EP disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US disclosed
WO-2003097610-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-11-27 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 (2 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-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K3, MAP3K20 PDPK1 34/4885JAK2 416/4885GSK3B 96/4885
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 PDPK1 4495/4885JAK2 1774/4885GSK3B 2342/4885

“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.