SCHEMBL23852201

SCHEMBL23852201

Nc1nc(-c2ccccc2)cc2nc(CCO)nn12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
LMNA P02545 1/20 0.49
PDE10A Q9Y233 4/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL23169281 0.89 ADORA2A (0.53) ADORA2ANPC1RAB9ALMNAALDH1A1
SCHEMBL23742183 0.83 ADORA2A (0.48) ADORA2ANPC1RAB9ALMNAPDE10A
SCHEMBL31743883 0.78 ADORA2A (0.46) ADORA2ANPC1RAB9ALMNAPDE10A
SCHEMBL21731237 0.77 ADORA2A (0.48) ADORA2ANPC1RAB9ALMNAALDH1A1
SCHEMBL21731261 0.75 KDM4E (0.47) ADORA2ANPC1RAB9ALMNAALDH1A1
SCHEMBL21731243 0.74 ADORA2A (0.53) ADORA2ANPC1RAB9ALMNAALDH1A1
SCHEMBL21379957 0.74 XDH (0.44) ADORA2A
SCHEMBL29659285 0.74 XDH (0.44) ADORA2A
SCHEMBL21731264 0.71 TP53 (0.55) ADORA2ANPC1RAB9ALMNAALDH1A1
SCHEMBL23270642 0.71 ADORA2A (0.48) ADORA2ANPC1RAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-25 US disclosed
EP-3883576-B1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-17 EP disclosed
US-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-09-16 US disclosed
US-20220040184-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP DOHME CORP. (US) 2022-02-10 US disclosed
EP-3883576-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE Merck Sharp & Dohme Corp. (US) 2021-09-29 EP 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-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2B, ADORA2A, ADORA3 ADORA2A 2/4885NPC1 2870/4885RAB9A 3367/4885
US-20220040184-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2B, ADORA2A, ADORA3 ADORA2A 2/4885NPC1 2870/4885RAB9A 3367/4885
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885NPC1 671/4885RAB9A 2590/4885

“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.