SCHEMBL4490310

SCHEMBL4490310

CN(C)c1ccc(-c2ccc3c(N)n[nH]c3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.69
BCR P11274 4/20 0.69
JAK2 O60674 3/20 0.66
PDPK1 O15530 10/20 0.64
TGFBR1 P36897 3/20 0.58
GSK3B P49841 1/20 0.54
AURKA O14965 2/20 0.51
ROCK1 Q13464 2/20 0.51
AURKB Q96GD4 2/20 0.51
SGK1 O00141 3/20 0.50
CHUK O15111 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
KDR P35968 1/20 0.49
SYK P43405 1/20 0.49
JAK3 P52333 1/20 0.49
MAP3K5 Q99683 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
SCHEMBL12907243 0.87 JAK2 (0.66) ABL1BCRJAK2PDPK1GSK3B
SCHEMBL12907468 0.84 GSK3B (0.54) ABL1BCRJAK2PDPK1TGFBR1
SCHEMBL6479941 0.81 JAK2 (0.72) ABL1BCRJAK2PDPK1TGFBR1
SCHEMBL421269 0.81 JAK2 (0.77) ABL1BCRJAK2PDPK1TGFBR1
SCHEMBL12907241 0.80 JAK2 (1.00) JAK2PDPK1TGFBR1GSK3BAURKA
SCHEMBL3361070 0.80 JAK2 (1.00) JAK2PDPK1TGFBR1GSK3BAURKA
SCHEMBL6485242 0.78 PDPK1 (1.00) JAK2PDPK1TGFBR1GSK3BAURKA
SCHEMBL4494073 0.78 JAK2 (0.72) ABL1BCRJAK2PDPK1TGFBR1
SCHEMBL6488855 0.78 JAK2 (0.72) JAK2PDPK1TGFBR1AURKAROCK1
SCHEMBL3359710 0.78 FGFR1 (0.72) ABL1BCRJAK2PDPK1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US 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
US-7872039-B2 N-3-chlorobenzyl-3-amino-1H-indazole-5-carboxamide; 3-aminoindazoles; glucocorticoid-depedent kinase (SGK) inhibitors; SGK-induced diseases; diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular diseases and renal diseases, fibrosis; inflammatory agents MERCK PATENT GESELLSCHAFT (DE) 2011-01-18 US disclosed
US-7872039-B2 N-3-chlorobenzyl-3-amino-1H-indazole-5-carboxamide; 3-aminoindazoles; glucocorticoid-depedent kinase (SGK) inhibitors; SGK-induced diseases; diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular diseases and renal diseases, fibrosis; inflammatory agents MERCK PATENT GESELLSCHAFT (DE) 2011-01-18 US 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
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed
US-20070232620-A1 3-Aminoindazoles MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
US-20070232620-A1 3-Aminoindazoles MERCK PATENT GMBH (DE) 2007-10-04 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
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 (3 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 ABL1 155/4885BCR 1348/4885JAK2 416/4885
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 ABL1 577/4885BCR 1691/4885JAK2 1774/4885
US-20070232620-A1 3-Aminoindazoles SGK3, SGK1, SGK2 ABL1 815/4885BCR 2651/4885JAK2 562/4885

“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.