SCHEMBL3579726

SCHEMBL3579726

COc1ccc(CN2Cc3cncn3C(c3ccc(C#N)cc3)C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.77
CYP11B1 P15538 6/20 0.77
ALDH1A1 P00352 1/20 0.43
CYP19A1 P11511 11/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL3576859 0.89 CYP11B1 (0.81) CYP11B2CYP11B1CYP19A1FNTAFNTB
SCHEMBL3575144 0.89 CYP11B2 (0.64) CYP11B2CYP11B1ALDH1A1FNTAFNTB
Hydrochloric Acid SCHEMBL3567457 0.88 CYP11B2 (0.62) CYP11B2CYP11B1ALDH1A1FNTAFNTB
SCHEMBL3567225 0.88 CYP11B1 (0.83) CYP11B2CYP11B1CYP19A1FNTAFNTB
SCHEMBL3570587 0.87 CYP11B1 (0.57) CYP11B2CYP11B1ALDH1A1
Hydrochloric Acid SCHEMBL3578533 0.87 CYP11B1 (0.81) CYP11B2CYP11B1CYP19A1FNTAFNTB
SCHEMBL3572973 0.87 CYP11B1 (0.81) CYP11B2CYP11B1CYP19A1FNTAFNTB
SCHEMBL3574101 0.87 CYP11B1 (0.84) CYP11B2CYP11B1CYP19A1FNTAFNTB
SCHEMBL3574602 0.87 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1FNTAFNTB
SCHEMBL3571991 0.85 CYP11B1 (0.56) CYP11B2CYP11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP disclosed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP disclosed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 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-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 CYP11B2 6/4885CYP11B1 1/4885ALDH1A1 178/4885

“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.