SCHEMBL24786705

SCHEMBL24786705

CCCn1c(=O)c2[nH]c(-c3ccc(Cl)nc3)nc2n(CCOC)c1=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 13/20 0.63
ADORA2A P29274 7/20 0.63
ADORA1 P30542 3/20 0.59
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ADORA3 P0DMS8 3/20 0.58

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
SCHEMBL24787659 1.00 ADORA2B (0.63) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL30073541 0.94 ADORA2B (0.72) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL24787320 0.94 ADORA2B (0.72) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL30073364 0.94 ADORA2B (0.72) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL1001096 0.93 ADORA2B (0.67) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL1497273 0.85 ADORA2B (0.66) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL1497283 0.85 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1497252 0.83 ADORA2B (0.66) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL30682457 0.83 ADORA2B (0.70) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL30682506 0.83 ADORA2B (0.70) ADORA2BADORA2AADORA1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117337263-A As A 2 Cyclic amide containing pyridylxanthines as B antagonists 阿多维特有限责任公司 2024-01-02 CN disclosed
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.