SCHEMBL14822671

SCHEMBL14822671

Cc1cncc(-c2nc3ccc(C)cn3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 9/20 0.52
CYP11B2 P19099 6/20 0.51
CYP11B1 P15538 4/20 0.46
DYRK1A Q13627 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14810251 0.87 AHR (0.59) AHRCYP11B2CYP11B1ADORA3ADORA2A
SCHEMBL14822669 0.87 AHR (0.56) AHRCYP11B2CYP11B1DYRK1AADORA3
SCHEMBL14822670 0.85 AHR (0.47) AHRCYP11B2CYP11B1ADORA3ADORA2A
SCHEMBL14822544 0.83 AHR (0.45) AHRCYP11B2CYP11B1DYRK1AALDH1A1
SCHEMBL14822663 0.81 AHR (0.51) AHRPIK3CAPIK3CGKDM4EALDH1A1
SCHEMBL15938078 0.79 AHR (0.44) AHRCYP11B2CYP11B1ADORA3ADORA2A
SCHEMBL15938425 0.78 CYP11B2 (0.40) AHRCYP11B2CYP11B1ADORA3ADORA2A
SCHEMBL9107076 0.75 PIK3CG (0.43) AHRCYP11B2CYP11B1ADORA3ADORA2A
SCHEMBL14822546 0.75 AHR (0.41) AHRCYP11B2CYP11B1ADORA3ADORA1
SCHEMBL14822662 0.75 CYP11B2 (0.54) AHRCYP11B2CYP11B1PIK3CDPIK3CG

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.