SCHEMBL921426

SCHEMBL921426

C#CCNC(=O)c1ccc(F)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
VNN1 O95497 1/20 0.43
S1PR3 Q99500 8/20 0.42
NAMPT P43490 2/20 0.41
S1PR1 P21453 3/20 0.41
S1PR4 O95977 1/20 0.41
GRM4 Q14833 1/20 0.40
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
CNR2 P34972 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
SCHEMBL13702420 0.85 VNN1 (0.44) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL22231515 0.83 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL31366876 0.83 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL926113 0.82 VNN1 (0.45) VNN1S1PR3NAMPTS1PR1S1PR4
SCHEMBL19771775 0.82 VNN1 (0.42) VNN1S1PR3NAMPTS1PR1S1PR4
SCHEMBL22231457 0.81 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL3612508 0.80 VNN1 (0.47) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL3821201 0.80 S1PR3 (0.47) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL22231390 0.79 MAOA (0.50) CA12CA1CA2CA9CA14
SCHEMBL26799630 0.78 HDAC1 (0.61) CA12CA1CA2CA9CA14

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 6 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
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-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
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 CA12 4882/4885CA1 4881/4885CA2 3824/4885

“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.