SCHEMBL21630876

SCHEMBL21630876

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Nc1c(Br)nc(Br)c[n+]1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 5/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ F2 P00734 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PRSS2 P07478 2/20 0.32
▸ PRSS3 P35030 2/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL31038514 0.87 HPGD (0.35) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL28587275 0.86 F2 (0.35) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL3199564 0.84 RAPGEF4 (0.38) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL30507693 0.83 SMN1; SMN2 (0.38) RAPGEF4MAPK1MEN1KMT2AKDM4E
SCHEMBL23852054 0.81 RAPGEF4 (0.33) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL27225358 0.79 RAPGEF4 (0.36) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL30366504 0.78 L3MBTL1 (0.44) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28628697 0.78 RAPGEF4 (0.35) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL3198097 0.75 — —
SCHEMBL20874147 0.75 RAPGEF4 (0.40) RAPGEF4MAPK1F2PRSS1PRSS2

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-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-20240360140-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2024-10-31 — — US disclosed
US-11999740-B2 Fused pyrazine derivatives as A2A / A2B inhibitors INCYTE CORPORATION (US) 2024-06-04 — — US disclosed
US-20220135570-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-05-05 — — 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
US-11161850-B2 Fused pyrazine derivatives as A2A / A2B inhibitors INCYTE CORPORATION (US) 2021-11-02 — — 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
EP-3818063-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS Incyte Corporation (US) 2021-05-12 — — EP disclosed
US-20200031835-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2020-01-30 — — 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 (8 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-20220135570-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 RAPGEF4 643/4885MAPK1 2389/4885F2 1953/4885
US-20240360140-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 RAPGEF4 643/4885MAPK1 2389/4885F2 1953/4885
US-20200031835-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 RAPGEF4 643/4885MAPK1 2389/4885F2 1953/4885
US-11161850-B2 Fused pyrazine derivatives as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 RAPGEF4 643/4885MAPK1 2389/4885F2 1953/4885
US-11999740-B2 Fused pyrazine derivatives as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 RAPGEF4 643/4885MAPK1 2389/4885F2 1953/4885
US-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2B, ADORA2A, ADORA3 RAPGEF4 1081/4885MAPK1 3638/4885F2 1521/4885
US-20220040184-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2B, ADORA2A, ADORA3 RAPGEF4 1081/4885MAPK1 3638/4885F2 1521/4885
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA1 RAPGEF4 1803/4885MAPK1 3417/4885F2 3420/4885

“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.

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