SCHEMBL768644

SCHEMBL768644

CN1C(=O)Cc2cc(-c3cccnc3)cc(C#N)c21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 17/20 0.53
CYP11B1 P15538 13/20 0.53
CYP1A2 P05177 6/20 0.53
CYP19A1 P11511 3/20 0.53
CYP17A1 P05093 1/20 0.53
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
TGFBR1 P36897 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1 Q04771 2/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41

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
SCHEMBL769612 0.81 CYP11B2 (0.57) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL768871 0.79 CYP11B2 (0.56) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL769062 0.76 CYP11B1 (0.78) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL753680 0.72 CYP11B1 (0.73) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL768885 0.71 CYP11B2 (0.54) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL768787 0.70 CYP11B2 (0.49) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL16122010 0.70 CYP11B2 (0.54) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL1119366 0.69 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL1885891 0.68 CYP11B2 (0.59) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL10707057 0.67 PIK3CD (0.68) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1

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 2/4885CYP1A2 18/4885
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 1/4885CYP1A2 27/4885

“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.