SCHEMBL14822669

SCHEMBL14822669

Cc1cncc(-c2nc3ccc(Cl)cn3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.56
CYP11B2 P19099 6/20 0.48
CYP11B1 P15538 4/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1A Q13627 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CG P48736 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
PIK3CB P42338 1/20 0.36
APP P05067 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
SCHEMBL14822671 0.87 AHR (0.52) AHRCYP11B2CYP11B1NPC1RAB9A
SCHEMBL30601172 0.81 AHR (0.72) AHRNPC1RAB9ASMN1; SMN2APP
SCHEMBL14822546 0.81 AHR (0.41) AHRCYP11B2CYP11B1PIK3CDPIK3CG
SCHEMBL15938425 0.81 CYP11B2 (0.40) AHRCYP11B2CYP11B1ADORA3ADORA1
SCHEMBL15937966 0.77 AHR (0.58) AHRSMN1; SMN2DYRK1APIK3CAPIK3CG
SCHEMBL30601212 0.77 AHR (0.81) AHRNPC1RAB9ASMN1; SMN2
SCHEMBL15938078 0.75 AHR (0.44) AHRCYP11B2CYP11B1PIK3CDPIK3CG
SCHEMBL14810251 0.75 AHR (0.59) AHRCYP11B2CYP11B1NPC1RAB9A
SCHEMBL14822670 0.73 AHR (0.47) AHRCYP11B2CYP11B1NPC1RAB9A
SCHEMBL14822660 0.72 AHR (0.49) AHRCYP11B2CYP11B1SMN1; SMN2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757883-B1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2757883-B1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
US-9567333-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-14 US disclosed
US-9567333-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-14 US disclosed
US-9567333-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-14 US disclosed
US-20160039817-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-02-11 US disclosed
US-20160039817-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-02-11 US disclosed
US-20160039817-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-02-11 US disclosed
US-9193724-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-24 US disclosed
US-9193724-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-24 US disclosed
US-9193724-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-24 US disclosed
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
WO-2013043520-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 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-20160039817-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, HSD11B1, CYP17A1 AHR 2535/4885CYP11B2 4/4885CYP11B1 6/4885
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, CYP11B2 AHR 2758/4885CYP11B2 3/4885CYP11B1 5/4885

“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.