SCHEMBL769252

SCHEMBL769252

CCS(=O)(=O)Nc1cncc(-c2ccc3c(c2)sc(=O)n3C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.48
MAPT P10636 3/20 0.47
SIRT6 Q8N6T7 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
BRPF1 P55201 1/20 0.41
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
BRD4 O60885 5/20 0.38
PRF1 P14222 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
PIK3CB P42338 1/20 0.36
DYRK1A Q13627 1/20 0.35

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
SCHEMBL768766 0.84 BRPF1 (0.44) MAPTSIRT6BRPF1TP53THRB
SCHEMBL6909940 0.76 PIK3CG (0.46) CYP11B2SIRT6SIGMAR1DYRK1A
SCHEMBL748257 0.76 CYP19A1 (0.40) CYP11B2MAPTSIRT6PIK3CASIGMAR1
SCHEMBL782548 0.76 CYP11B2 (0.48) CYP11B2BRPF1BRD4
SCHEMBL31260108 0.72 CYP11B1 (0.59) CYP11B2
SCHEMBL14792305 0.72 CYP11B1 (0.59) CYP11B2
SCHEMBL31149505 0.72 CYP11B2 (0.43) CYP11B2MAPTSIRT6TP53THRB
SCHEMBL746136 0.72 SIRT6 (0.49) CYP11B2SIRT6PIK3CA
SCHEMBL782798 0.71 CYP11B2 (0.43) CYP11B2BRPF1BRD4
SCHEMBL10233229 0.70 PDE10A (0.43) CYP11B2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459223-B 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2014-11-05 CN disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
CN-102459223-A 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2012-05-16 CN disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 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 (2 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 CYP11B2 1/4885MAPT 1619/4885SIRT6 2458/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 CYP11B2 3/4885MAPT 2075/4885SIRT6 2000/4885

“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.