SCHEMBL23852698

SCHEMBL23852698

FC(F)Cn1cnc2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 1/20 0.42
GRM2 Q14416 15/20 0.41
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.34
GGPS1 O95749 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL15518945 0.79 CNR1 (0.41) RAB9ASMN1; SMN2CNR1
SCHEMBL21555711 0.78 ADORA2A (0.36) NPC1RAB9ACNR1GGPS1FDPS
SCHEMBL12970517 0.78 GRM2 (0.51) PRPS1GRM2NPC1MAPTNFKB1
SCHEMBL4855166 0.74 CYP11B1 (0.58) GRM2SMN1; SMN2
SCHEMBL31748263 0.73 TDP1 (0.63) MAPTSMN1; SMN2GGPS1FDPS
SCHEMBL23851592 0.72 PRPS1 (0.46) PRPS1GRM2FDPS
SCHEMBL31203106 0.71 POLB (0.37) PRPS1NPC1RAB9ACNR1GGPS1
SCHEMBL31641849 0.71 PRPS1 (0.46) PRPS1NPC1RAB9ACNR1GGPS1
SCHEMBL29535616 0.70 GRM2 (0.41) PRPS1GRM2
SCHEMBL900261 0.69 GRM2 (0.46) GRM2

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 PRPS1 619/4885GRM2 634/4885NPC1 2870/4885
US-20220040184-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2B, ADORA2A, ADORA3 PRPS1 619/4885GRM2 634/4885NPC1 2870/4885
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA1 PRPS1 682/4885GRM2 451/4885NPC1 671/4885

“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.