SCHEMBL4819062

SCHEMBL4819062

COCc1cccc(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.43
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4815221 0.88 TSHR (0.51) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL27946142 0.88 HPGD (0.47) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16959264 0.87 SMN1; SMN2 (0.48) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1031955 0.85 SMN1; SMN2 (0.47) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30114672 0.85 SMN1; SMN2 (0.47) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1030553 0.85 SMN1; SMN2 (0.47) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8421994 0.84 ALDH1A1 (0.55) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9522873 0.84 SMN1; SMN2 (0.46) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7010374 0.84 SMN1; SMN2 (0.49) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9524635 0.83 SMN1; SMN2 (0.46) HPGDPOLBSMN1; SMN2ALDH1A1KMT2A

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 23 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
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-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
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
EP-1700850-B1 Phenylalanine derivative AJINOMOTO KK (JP) 2015-07-15 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-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-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
EP-2615087-A2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2013-07-17 EP disclosed
US-8309561-B2 N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
EP-1700850-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-09-13 EP disclosed
US-20050222141-A1 Novel phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-10-06 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 (5 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-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV HPGD 3641/4885POLB 4329/4885SMN1; SMN2 1839/4885
US-20050222141-A1 Novel phenylalanine derivatives ITGB4, ITGA4, ITGAV HPGD 3641/4885POLB 4329/4885SMN1; SMN2 1839/4885
US-20150361098-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 HPGD 2580/4885POLB 3627/4885SMN1; SMN2 1627/4885
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 HPGD 2414/4885POLB 3665/4885SMN1; SMN2 1592/4885
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties ADORA2A, ADORA3, ADORA1 HPGD 2309/4885POLB 3655/4885SMN1; SMN2 1492/4885

“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.