SCHEMBL753680

SCHEMBL753680

CN1C(=O)Cc2cc(-c3cncc(-c4cccnc4)c3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.73
CYP11B2 P19099 2/20 0.73
CYP17A1 P05093 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP19A1 P11511 1/20 0.73
ACVRL1 P37023 18/20 0.68
ACVR1 Q04771 18/20 0.68
BMPR1A P36894 16/20 0.68
BMPR1B O00238 13/20 0.68
TGFBR1 P36897 9/20 0.64

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
SCHEMBL769062 0.96 CYP11B1 (0.78) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL769234 0.90 ACVRL1 (0.71) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL769221 0.85 ACVRL1 (0.73) CYP11B1CYP11B2CYP1A2ACVRL1ACVR1
SCHEMBL1119366 0.84 CYP11B2 (1.00) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL744757 0.83 ACVRL1 (0.69) CYP11B1CYP11B2CYP1A2ACVRL1ACVR1
SCHEMBL768977 0.82 ACVRL1 (0.67) CYP11B1CYP11B2CYP1A2ACVRL1ACVR1
SCHEMBL750197 0.82 ACVRL1 (0.67) CYP11B1CYP11B2CYP1A2ACVRL1ACVR1
SCHEMBL745958 0.82 ACVRL1 (0.67) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769195 0.82 ACVRL1 (0.67) CYP11B1CYP11B2CYP1A2ACVRL1ACVR1
SCHEMBL762445 0.82 ACVRL1 (0.67) CYP11B1CYP11B2CYP1A2ACVRL1ACVR1

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 1/4885CYP17A1 55/4885
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 3/4885CYP17A1 10/4885

“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.