SCHEMBL23854084

SCHEMBL23854084

Cn1cc(N2CCCC(C=O)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.40
ADORA2A P29274 10/20 0.40
PROKR1 Q8TCW9 1/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
CDC42BPA Q5VT25 2/20 0.33
CDC42BPB Q9Y5S2 2/20 0.33
LRRK2 Q5S007 3/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL18611868 0.80 LRRK2 (0.47) ADORA2BADORA2ALRRK2
SCHEMBL16042491 0.78 PIM1 (0.47) ADORA2BADORA2APIM1PIM3PIM2
SCHEMBL30818803 0.78 PIM1 (0.47) ADORA2BADORA2APIM1PIM3PIM2
SCHEMBL21995773 0.77 ALDH1A1 (0.53) ADORA2BADORA2A
SCHEMBL20341632 0.76 ROCK2 (0.53) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL21159426 0.76 ADORA2B (0.40) ADORA2BADORA2AROCK2ROCK1CDC42BPA
SCHEMBL4687065 0.75 CHKA (0.52)
SCHEMBL20038455 0.75 CHRNB2 (0.51)
SCHEMBL27881033 0.74 NOTUM (0.47)
SCHEMBL18107430 0.74 CHKA (0.41) ADORA2BADORA2AROCK2ROCK1CDC42BPB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382300-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-18 US disclosed
US-12466831-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-11-11 US disclosed
EP-3883575-B1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-10-08 EP disclosed
US-20210395255-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
US-20210395255-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
EP-3883575-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-20250382300-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885PROKR1 839/4885
US-12466831-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 ADORA2B 2/4885ADORA2A 1/4885PROKR1 820/4885
US-20210395255-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 ADORA2B 2/4885ADORA2A 1/4885PROKR1 820/4885

“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.