SCHEMBL3792272

SCHEMBL3792272

Nc1cc(-c2ccnc(N)c2N)c(-c2ncco2)nc1N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 3/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PIN1 Q13526 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CFTR P13569 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ CSNK1E P49674 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
SCHEMBL3792241 0.80 ADORA2A (0.46) ADORA2AADORA1ADORA2BCFTR
SCHEMBL3792264 0.80 ADORA2A (0.46) ADORA2AADORA1ADORA2BHPGD
SCHEMBL4049446 0.79 MEN1 (0.42) ADORA2AADORA1ADORA2BHPGD
SCHEMBL3792248 0.78 ADORA2A (0.32) ADORA2AADORA1ADORA2BCFTR
SCHEMBL3786302 0.77 MAP4K4 (0.35) ADORA2AADORA1ADORA2B
SCHEMBL4050628 0.72 ALDH1A1 (0.46) ADORA2AADORA1ADORA2BHPGD
SCHEMBL4049734 0.72 FYN (0.42) ADORA2AADORA1ADORA2B
SCHEMBL30792106 0.63 MAP4K4 (0.44) ADORA2AADORA1NOS3NOS2PIN1
SCHEMBL22557217 0.63 HPGDS (0.40) ADORA2AADORA1NOS3NOS2ADORA2B
SCHEMBL3790043 0.63 ADORA2B (0.43) ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 — — US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 — — US disclosed
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 — — EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 — — WO 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 (1 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885NOS3 2316/4885

“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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