SCHEMBL24787692

SCHEMBL24787692

CN1CC(CN(C(=O)c2ccc(F)nc2)c2ccc(-c3nc4c([nH]3)c(=O)n(C3CC3)c(=O)n4C3CC3)cn2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.37
ADORA2A P29274 7/20 0.35
ADORA1 P30542 4/20 0.33
ADORA3 P0DMS8 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
SCHEMBL24786757 0.94 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3
SCHEMBL24787115 0.87 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243367 0.85 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3
SCHEMBL24787085 0.81 KDM4E (0.33) ADORA2BADORA2AADORA1ADORA3
SCHEMBL30073617 0.81 KDM4E (0.33) ADORA2BADORA2AADORA1ADORA3
SCHEMBL24786720 0.79 ADORA2B (0.32) ADORA2BADORA2AADORA1ADORA3
SCHEMBL24786783 0.79 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1002670 0.78 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243837 0.78 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243251 0.78 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814387-B2 Cyclic amide-containing pyridyl xanthines as A2B antagonists ADOVATE, LLC (US) 2023-11-14 US disclosed
US-20220402919-A1 CYCLIC AMIDE-CONTAINING PYRIDYL XANTHINES AS A2B ANTAGONISTS ADOVATE, LLC 2022-12-22 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 (2 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-20220402919-A1 CYCLIC AMIDE-CONTAINING PYRIDYL XANTHINES AS A2B ANTAGONISTS ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-11814387-B2 Cyclic amide-containing pyridyl xanthines as A2B antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885

“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.