SCHEMBL769108

SCHEMBL769108

COc1c(-c2cncc(Cl)c2C)ccc2c1CC(=O)N2C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.34
CYP11B2 P19099 7/20 0.34
CYP1A2 P05177 1/20 0.34
ACVR1 Q04771 9/20 0.33
BMPR1A P36894 7/20 0.33
ACVRL1 P37023 7/20 0.33
BMPR1B O00238 6/20 0.33
TGFBR1 P36897 6/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP19A1 P11511 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL777590 0.86 ACVR1 (0.36) CYP11B1CYP11B2CYP1A2ACVR1BMPR1A
SCHEMBL768995 0.85 CYP11B1 (0.35) CYP11B1CYP11B2ACVR1BMPR1AACVRL1
SCHEMBL768493 0.80 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2ACVR1BMPR1A
SCHEMBL769135 0.75 PARP10 (0.42) CYP11B1CYP11B2CYP1A2ACVR1BMPR1A
SCHEMBL750180 0.75 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2ACVR1BMPR1A
SCHEMBL749006 0.75 CYP11B2 (0.54) CYP11B1CYP11B2CYP1A2ALDH1A1CYP3A4
SCHEMBL769159 0.73 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2ACVR1BMPR1A
SCHEMBL768968 0.72 ACVRL1 (0.55) CYP11B1CYP11B2ACVR1BMPR1AACVRL1
SCHEMBL748248 0.70 CYP11B1 (0.36) CYP11B1CYP11B2ACVR1BMPR1AACVRL1
SCHEMBL751599 0.69 LMNA (0.38) CYP11B1CYP11B2CYP1A2KMT2A

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 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.