SCHEMBL3101757

SCHEMBL3101757

NCOc1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.65
KMT2A Q03164 1/20 0.65
AKR1C3 P42330 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.55
NR4A1 P22736 2/20 0.54
NR4A3 Q92570 2/20 0.54
MRGPRX4 Q96LA9 3/20 0.53
SRD5A2 P31213 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL30523116 1.00 NR4A2 (0.65) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL1572959 0.86 KMT2A (0.71) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL28029093 0.85 PARP1 (0.62) NR4A2KMT2A
SCHEMBL30167982 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL9803295 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL10787479 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
Hydrochloric Acid SCHEMBL25378558 0.84 KMT2A (0.69) NR4A2KMT2AAKR1C3NR1H4
SCHEMBL14384059 0.84 KMT2A (0.69) NR4A2KMT2AAKR1C3NR1H4
SCHEMBL14384068 0.84 KMT2A (0.69) NR4A2KMT2AAKR1C3NR1H4
SCHEMBL4509654 0.83 KMT2A (0.77) NR4A2KMT2AAKR1C3NR1H4

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
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
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-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-2014101120-A1 HETEROBICYCLO-SUBSTITUTED-7-METHOXY-[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
CN-102076214-A Gastrin releasing peptide compounds BRACCO IMAGING SPA 2011-05-25 CN disclosed
US-20100255934-A1 COMPOSITIONS FOR GOLF EQUIPMENT ACUSHNET COMPANY 2010-10-07 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 (3 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 NR4A2 314/4885KMT2A 3700/4885AKR1C3 1525/4885
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 NR4A2 301/4885KMT2A 3657/4885AKR1C3 1369/4885
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties ADORA2A, ADORA3, ADORA1 NR4A2 302/4885KMT2A 3810/4885AKR1C3 1369/4885

“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.