SCHEMBL752065

SCHEMBL752065

CCOc1c(-c2cccnc2)ccc2c1CC(=O)N2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.58
CYP11B2 P19099 12/20 0.58
CYP19A1 P11511 7/20 0.58
CYP3A4 P08684 3/20 0.58
CYP1A2 P05177 2/20 0.47
CYP17A1 P05093 1/20 0.47
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
HSD11B1 P28845 1/20 0.38
CYP2E1 P05181 2/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL749006 0.88 CYP11B2 (0.54) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL746020 0.87 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL769158 0.86 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL769028 0.85 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL768797 0.85 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL769590 0.84 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL777763 0.84 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL768984 0.84 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL769022 0.84 CYP11B2 (0.48) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2
SCHEMBL768788 0.82 CYP11B2 (0.49) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2

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
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
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
EP-2430011-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) 2012-03-21 EP disclosed
WO-2010130794-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) 2010-11-18 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 (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 CYP11B1 2/4885CYP11B2 1/4885CYP19A1 46/4885
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 CYP11B1 1/4885CYP11B2 3/4885CYP19A1 41/4885

“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.