SCHEMBL3621775

SCHEMBL3621775

CC1=NC2(O)CN(S(=O)(=O)c3ccc(C)cc3)CC2S1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP2 P08253 1/20 0.39

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
SCHEMBL21344616 0.82 LMNA (0.41) PKMTSHRLMNAKMT2AGAA
SCHEMBL19011448 0.68 PKM (0.59) PKMTSHRALDH1A1POLBHTT
SCHEMBL9851568 0.67 PKM (0.63) PKMTSHRALDH1A1POLBHTT
SCHEMBL825108 0.67 PKM (0.63) PKMTSHRALDH1A1POLBHTT
SCHEMBL504925 0.67 DPP4 (0.47) PKMTSHRALDH1A1POLBHTT
SCHEMBL19104718 0.67 PKM (0.46) PKMTSHRALDH1A1POLBHTT
SCHEMBL13652109 0.66 PKM (0.57) PKMTSHRALDH1A1POLBHTT
SCHEMBL29657316 0.66 PKM (0.61) PKMTSHRALDH1A1POLBHTT
SCHEMBL31629999 0.66 PKM (0.61) PKMTSHRALDH1A1POLBHTT
SCHEMBL12330364 0.66 PKM (0.61) PKMTSHRALDH1A1POLBHTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
EP-2945632-B1 HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS SUITABLE FOR TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS MERCK SHARP & DOHME (US) 2018-03-07 EP disclosed
EP-2945632-B1 HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS SUITABLE FOR TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS MERCK SHARP & DOHME (US) 2018-03-07 EP disclosed
US-9708347-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9708347-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9708347-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
US-20150361098-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2015-12-17 US disclosed
US-20150361098-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2015-12-17 US disclosed
US-20150361098-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2015-12-17 US disclosed
EP-2945632-A1 HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2015-11-25 EP disclosed
WO-2014105666-A1 HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
WO-2014105666-A1 HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
WO-2014101373-A1 HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDER MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
WO-2014101373-A1 HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDER MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-10-29 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 (4 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-20150361098-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 PKM 2885/4885TSHR 267/4885ALDH1A1 1123/4885
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 PKM 2268/4885TSHR 3731/4885ALDH1A1 872/4885
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 PKM 2673/4885TSHR 304/4885ALDH1A1 858/4885
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties ADORA2A, ADORA3, ADORA1 PKM 2592/4885TSHR 300/4885ALDH1A1 956/4885

“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.