SCHEMBL10213901

SCHEMBL10213901

Nc1n[nH]c2ccc(-c3cccc(O)c3)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.71
PDPK1 O15530 2/20 0.54
MAP4K4 O95819 2/20 0.54
TYK2 P29597 2/20 0.54
JAK3 P52333 2/20 0.54
JAK1 P23458 1/20 0.54
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
DYRK1A Q13627 2/20 0.49
CHEK1 O14757 1/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
CDK1 P06493 1/20 0.49
ROS1 P08922 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
SCHEMBL6485141 0.87 PDPK1 (0.71) JAK2PDPK1MAP4K4TYK2JAK3
SCHEMBL10213932 0.85 JAK2 (0.72) JAK2PDPK1MAP4K4TYK2JAK3
SCHEMBL10213929 0.84 JAK2 (0.81) JAK2PDPK1MAP4K4TYK2JAK3
SCHEMBL3359889 0.83 JAK2 (1.00) JAK2PDPK1MAP4K4TYK2JAK3
SCHEMBL12907246 0.83 JAK2 (1.00) JAK2PDPK1MAP4K4TYK2JAK3
SCHEMBL12907433 0.83 MKNK1 (0.51) JAK2TYK2JAK3JAK1CYP3A4
SCHEMBL10130802 0.81 JAK2 (0.60) JAK2PDPK1TYK2JAK3JAK1
SCHEMBL22715912 0.81 JAK2 (0.71) JAK2PDPK1MAP4K4TYK2JAK3
SCHEMBL12907180 0.81 JAK2 (0.71) JAK2PDPK1MAP4K4TYK2JAK3
SCHEMBL12907221 0.81 JAK2 (0.71) JAK2PDPK1MAP4K4TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 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-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-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US 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 (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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 JAK2 1822/4885PDPK1 856/4885MAP4K4 2140/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 JAK2 1822/4885PDPK1 856/4885MAP4K4 2140/4885
US-20070232620-A1 3-Aminoindazoles SGK3, SGK1, SGK2 JAK2 562/4885PDPK1 118/4885MAP4K4 139/4885

“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.