SCHEMBL769612

SCHEMBL769612

CN1C(=O)Cc2cc(-c3cccnc3)cc(Cl)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.57
CYP11B1 P15538 11/20 0.53
CYP1A2 P05177 6/20 0.53
CYP17A1 P05093 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRM2 Q14416 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
BMPR1B O00238 2/20 0.43
BMPR1A P36894 2/20 0.43
TGFBR1 P36897 2/20 0.43
ACVRL1 P37023 2/20 0.43
ACVR1 Q04771 2/20 0.43
NR4A2 P43354 1/20 0.43
TDP2 O95551 1/20 0.42

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
SCHEMBL768644 0.81 CYP11B2 (0.53) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL769062 0.78 CYP11B1 (0.78) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL769293 0.77 CYP11B2 (0.58) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL753680 0.75 CYP11B1 (0.73) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL16989844 0.73 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL1875733 0.72 CYP11B2 (0.79) CYP11B2CYP11B1CYP1A2CYP19A1CYP3A4
SCHEMBL1885891 0.71 CYP11B2 (0.59) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL15463788 0.70 CYP11B2 (0.77) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL1119366 0.69 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL8505600 0.69 NOTUM (0.42) MEN1LMNAKMT2A

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.