SCHEMBL12907244

SCHEMBL12907244

Nc1n[nH]c2ccc(-c3ccccc3C(F)(F)F)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.63
▸ JAK1 P23458 1/20 0.63
▸ TYK2 P29597 1/20 0.63
▸ JAK3 P52333 1/20 0.63
▸ TRPA1 O75762 3/20 0.58
▸ TRPM8 Q7Z2W7 1/20 0.57
▸ ALOX5AP P20292 2/20 0.50
▸ FEN1 P39748 2/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ SCN5A Q14524 2/20 0.47
▸ SCN9A Q15858 2/20 0.47
▸ CYP3A4 P08684 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL12907209 0.89 SCN5A (0.59) JAK2JAK1TYK2JAK3TRPA1
SCHEMBL5511728 0.84 MKNK1 (0.57) JAK2JAK1TYK2JAK3TRPA1
SCHEMBL12907170 0.81 JAK2 (0.68) JAK2JAK1TYK2JAK3TRPA1
SCHEMBL12907219 0.78 JAK2 (0.68) JAK2JAK1TYK2JAK3ALOX5AP
SCHEMBL2661697 0.78 JAK2 (1.00) JAK2JAK1TYK2JAK3TRPA1
SCHEMBL12907453 0.77 TRPA1 (0.50) TRPA1TRPM8ALOX5APFEN1BACE1
SCHEMBL12907442 0.76 TRPA1 (0.60) TRPA1TRPM8ALOX5APFEN1BACE1
SCHEMBL12907182 0.76 JAK2 (0.69) JAK2JAK1TYK2JAK3MAPK1
SCHEMBL10213929 0.76 JAK2 (0.81) JAK2JAK1TYK2JAK3CYP3A4
SCHEMBL12907220 0.75 JAK2 (0.65) JAK2JAK1TYK2JAK3MAPK1

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 562/4885JAK1 343/4885TYK2 140/4885

“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.

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