SCHEMBL922152

SCHEMBL922152

NN=CNc1n[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
PDPK1 O15530 1/20 0.47
CYP3A4 P08684 1/20 0.47
TRPA1 O75762 1/20 0.46
MAPK10 P53779 3/20 0.44
TTK P33981 2/20 0.44
ALDH1A1 P00352 2/20 0.44
IDO1 P14902 2/20 0.44
ALPL P05186 1/20 0.44
HPGD P15428 1/20 0.44
FADS1 O60427 2/20 0.43
ADRA2A P08913 2/20 0.43
AURKA O14965 2/20 0.41
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
GRM4 Q14833 1/20 0.39
LRRK2 Q5S007 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL922151 1.00 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL11754096 0.77 TRPA1 (0.50) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL28079409 0.76 TRPA1 (0.49) KDM4EGAAPDPK1CYP3A4TRPA1
Hydrochloric Acid SCHEMBL8487463 0.76 TRPA1 (0.49) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL11700794 0.74 KDM4E (0.57) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL31032755 0.71 TRPA1 (0.54) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL11756891 0.71 TRPA1 (0.54) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL15392392 0.71 TRPA1 (0.54) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL7452500 0.71 TRPA1 (0.54) KDM4EGAAPDPK1CYP3A4TRPA1
SCHEMBL7172053 0.71 TRPA1 (0.54) KDM4EGAAPDPK1CYP3A4TRPA1

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
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
EP-1765788-A2 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GmbH (DE) 2007-03-28 EP disclosed
WO-2005123688-A2 3-AMINOINDAZOLES MERCK PATENT GMBH (DE) 2005-12-29 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 (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 KDM4E 2491/4885GAA 2371/4885PDPK1 118/4885

“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.