SCHEMBL12907239

SCHEMBL12907239

Nc1n[nH]c2cc(-c3ccc4c(c3)OCCO4)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.58
PDPK1 O15530 10/20 0.56
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
MAP2K4 P45985 3/20 0.50
MAPK1 P28482 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
MAPKAPK3 Q16644 1/20 0.50
MAPK6 Q16659 1/20 0.50
NOTUM Q6P988 1/20 0.48
AURKA O14965 3/20 0.47
TGFBR1 P36897 3/20 0.47
AURKB Q96GD4 3/20 0.47
ROCK1 Q13464 2/20 0.47
CHUK O15111 1/20 0.47

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
SCHEMBL4484770 0.91 MAP2K4 (0.60) JAK2PDPK1MAP2K4MAPK1MAPKAPK2
SCHEMBL12907222 0.88 JAK2 (0.58) JAK2PDPK1PRKAB2PRKAG1PRKAA2
SCHEMBL12907460 0.84 MAP2K4 (0.49) PDPK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL12907247 0.79 MAP2K4 (0.60) JAK2MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL421269 0.75 JAK2 (0.77) JAK2PDPK1AURKATGFBR1AURKB
SCHEMBL15677665 0.74 ALOX5 (0.72) NOTUMALOX5KDM4ENPC1ALDH1A1
SCHEMBL3361070 0.74 JAK2 (1.00) JAK2PDPK1AURKATGFBR1AURKB
SCHEMBL12907241 0.74 JAK2 (1.00) JAK2PDPK1AURKATGFBR1AURKB
SCHEMBL6485242 0.72 PDPK1 (1.00) JAK2PDPK1AURKATGFBR1AURKB
SCHEMBL6488855 0.72 JAK2 (0.72) JAK2PDPK1AURKATGFBR1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20070232620-A1 3-Aminoindazoles SGK3, SGK1, SGK2 JAK2 562/4885PDPK1 118/4885PRKAB2 1649/4885

“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.