SCHEMBL769198

SCHEMBL769198

Cc1c(-c2ccncc2Br)ccc2c1CC(=O)N2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
CYP19A1 P11511 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
BMPR1B O00238 4/20 0.32
BMPR1A P36894 4/20 0.32
ACVRL1 P37023 4/20 0.32
ACVR1 Q04771 4/20 0.32
PARP10 Q53GL7 2/20 0.32
PARP11 Q9NR21 2/20 0.32
TRIM24 O15164 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
CYP3A4 P08684 2/20 0.31

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
SCHEMBL768512 0.78 PARP10 (0.54) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL769021 0.76 ACVRL1 (0.40) CYP11B1CYP11B2CYP1A2CCNB2CDK1
SCHEMBL760693 0.76 CCNB2 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL768667 0.72 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL25828286 0.69 PKM (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL750802 0.68 CYP2A6 (0.42) CYP11B1CYP11B2BMPR1BBMPR1AACVRL1
SCHEMBL768861 0.68 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL768995 0.67 CYP11B1 (0.35) CYP11B1CYP11B2BMPR1BBMPR1AACVRL1
SCHEMBL751165 0.67 CYP11B2 (0.49) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL29778811 0.67 PKM (0.38) CCNB2CDK1CCNB1GSK3BCCNB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 3/4885CYP19A1 41/4885

“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.