SCHEMBL750180

SCHEMBL750180

COc1c(-c2cncc(Br)c2)ccc2c1CC(=O)N2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP1A2 P05177 1/20 0.41
BMPR1A P36894 13/20 0.39
ACVRL1 P37023 13/20 0.39
ACVR1 Q04771 13/20 0.39
BMPR1B O00238 12/20 0.39
TGFBR1 P36897 8/20 0.39
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 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
SCHEMBL768493 0.86 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2BMPR1AACVRL1
SCHEMBL769135 0.86 PARP10 (0.42) CYP11B1CYP11B2CYP1A2BMPR1AACVRL1
SCHEMBL769021 0.85 ACVRL1 (0.40) CYP11B1CYP11B2CYP1A2BMPR1AACVRL1
SCHEMBL749146 0.84 BMPR1A (0.40) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL769159 0.83 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2BMPR1AACVRL1
SCHEMBL743753 0.82 ACVRL1 (0.40) CYP11B1CYP11B2BMPR1AACVRL1ACVR1
SCHEMBL749006 0.81 CYP11B2 (0.54) CYP11B1CYP11B2CYP1A2CYP3A4CYP19A1
SCHEMBL769108 0.75 CYP11B1 (0.34) CYP11B1CYP11B2CYP1A2BMPR1AACVRL1
SCHEMBL777590 0.75 ACVR1 (0.36) CYP11B1CYP11B2CYP1A2BMPR1AACVRL1
SCHEMBL751599 0.75 LMNA (0.38) CYP11B1CYP11B2CYP1A2CCNB2CDK1

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 1/4885CYP1A2 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 CYP11B1 1/4885CYP11B2 3/4885CYP1A2 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.