SCHEMBL768787

SCHEMBL768787

CN1C(=O)Cc2c1ccc(-c1cccnc1)c2C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.49
CYP11B1 P15538 8/20 0.49
CYP19A1 P11511 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP17A1 P05093 1/20 0.49
CYP3A4 P08684 2/20 0.47
MAOA P21397 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
IKBKB O14920 1/20 0.39
PIM1 P11309 1/20 0.39
ATM Q13315 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 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
SCHEMBL768861 0.83 CYP11B1 (0.50) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL768512 0.83 PARP10 (0.54) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL751165 0.81 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL749006 0.81 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL768788 0.80 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL750475 0.80 CYP11B1 (0.47) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL768797 0.78 CYP11B1 (0.48) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL768871 0.78 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL752065 0.77 CYP11B1 (0.58) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL746020 0.76 CYP11B1 (0.58) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1

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 8 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-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

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 1/4885CYP11B1 2/4885CYP19A1 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 CYP11B2 3/4885CYP11B1 1/4885CYP19A1 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.