SCHEMBL6662746

SCHEMBL6662746

Cc1ccncc1-n1ncc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.39
SLC6A2 P23975 2/20 0.38
PDE9A O76083 5/20 0.37
CYP11B1 P15538 4/20 0.35
SMO Q99835 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL15839178 0.79 CYP17A1 (0.45) CYP11B2SLC6A2PDE9ACYP11B1CYP17A1
SCHEMBL6653678 0.77 SLC6A2 (0.47) CYP11B2SLC6A2CYP11B1
SCHEMBL3017074 0.74 CYP11B2 (0.69) CYP11B2CYP11B1SMONR3C1CYP1A2
SCHEMBL24153494 0.73 NR3C1 (0.51) CYP11B2CYP11B1SMONR3C1PGR
SCHEMBL838162 0.70 SMO (0.51) CYP11B2CYP11B1SMOIRAK4NR3C1
Trifluoroacetic Acid SCHEMBL6657105 0.70 L3MBTL1 (0.46) CYP11B2CYP11B1NR3C1PGR
SCHEMBL4222899 0.70 NR3C1 (0.53) CYP11B2CYP11B1SMONR3C1
SCHEMBL839102 0.69 NR3C1 (0.54) CYP11B2SMONR3C1PGR
SCHEMBL6657272 0.68 IRAK4 (0.50) CYP11B2IRAK4NR3C1CYP17A1CYP1A2
SCHEMBL11794 0.68 EGFR (0.46) CYP11B2CYP1A2

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
EP-2934144-B1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 EP claimed
US-9522141-B2 Indazole compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-12-20 US claimed
US-20150320733-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US claimed
EP-2934144-B1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 EP disclosed
US-9522141-B2 Indazole compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-12-20 US disclosed
US-20150320733-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
EP-2934144-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014099833-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 US disclosed
EP-1432698-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 CYP11B2 53/4885SLC6A2 2629/4885PDE9A 2216/4885
US-20150320733-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP21A2, CYP11B1 CYP11B2 4/4885SLC6A2 973/4885PDE9A 297/4885

“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.