SCHEMBL6479720

SCHEMBL6479720

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.66
PDPK1 O15530 8/20 0.64
GSK3B P49841 1/20 0.54
ABL1 P00519 5/20 0.52
BCR P11274 5/20 0.52
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51
AURKA O14965 2/20 0.51
TGFBR1 P36897 2/20 0.51
ROCK1 Q13464 2/20 0.51
AURKB Q96GD4 2/20 0.51
SGK1 O00141 2/20 0.51
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

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
SCHEMBL12907189 0.87 JAK2 (0.66) JAK2PDPK1MITFALDH1A1TP53
SCHEMBL84515 0.86 PDPK1 (0.55) JAK2PDPK1GSK3BABL1MITF
SCHEMBL12907438 0.84 GSK3B (0.54) JAK2PDPK1GSK3BABL1BCR
SCHEMBL12907202 0.84 PDPK1 (0.69) JAK2PDPK1GSK3BABL1BCR
SCHEMBL6479941 0.81 JAK2 (0.72) JAK2PDPK1ABL1BCRAURKA
SCHEMBL421269 0.81 JAK2 (0.77) JAK2PDPK1GSK3BABL1BCR
SCHEMBL3361070 0.80 JAK2 (1.00) JAK2PDPK1GSK3BAURKATGFBR1
SCHEMBL12907241 0.80 JAK2 (1.00) JAK2PDPK1GSK3BAURKATGFBR1
SCHEMBL6488855 0.78 JAK2 (0.72) JAK2PDPK1AURKATGFBR1ROCK1
SCHEMBL4494073 0.78 JAK2 (0.72) JAK2PDPK1GSK3BABL1BCR

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 10 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
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
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-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 JAK2 1774/4885PDPK1 4495/4885GSK3B 2342/4885
US-20070232620-A1 3-Aminoindazoles SGK3, SGK1, SGK2 JAK2 562/4885PDPK1 118/4885GSK3B 594/4885

“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.