SCHEMBL4039865

SCHEMBL4039865

Nc1n[nH]c2ccc(CNC(=O)c3cccc(Cl)c3)cc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.67
JAK1 P23458 5/20 0.67
MAPK1 P28482 4/20 0.61
MAPK3 P27361 2/20 0.61
BRD4 O60885 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TTK P33981 1/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
ULK1 O75385 1/20 0.51
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.48

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
Hydrochloric Acid SCHEMBL923474 0.99 JAK2 (0.65) JAK2JAK1MAPK1MAPK3BRD4
SCHEMBL922525 0.91 MAPK1 (0.74) JAK2JAK1MAPK1MAPK3BRD4
SCHEMBL12907304 0.87 TTK (0.54) JAK2JAK1MAPK1MAPK3TTK
SCHEMBL12907294 0.87 JAK2 (0.59) JAK2JAK1MAPK1MAPK3TTK
SCHEMBL12943241 0.86 CA1 (0.55) JAK2JAK1MAPK1MAPK3CA1
SCHEMBL923021 0.84 MAPK1 (0.64) JAK2JAK1MAPK1MAPK3BRD4
SCHEMBL12907296 0.83 KLKB1 (0.52) JAK2JAK1MAPK1MAPK3TTK
SCHEMBL12907271 0.83 MAOB (0.64) JAK2JAK1MAPK1MAPK3LMNA
SCHEMBL12907279 0.82 MAPK1 (0.59) JAK2JAK1MAPK1MAPK3TTK
SCHEMBL12907262 0.82 MAPK1 (0.61) JAK2JAK1MAPK1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP claimed
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
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
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 JAK2 562/4885JAK1 343/4885MAPK1 595/4885

“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.