SCHEMBL6045682

SCHEMBL6045682

CCC(Cn1cnc2c(N)ncnc21)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
ADORA2A P29274 9/20 0.63
ADORA1 P30542 5/20 0.63
PI4KA P42356 3/20 0.58
PI4K2B Q8TCG2 3/20 0.58
PI4K2A Q9BTU6 3/20 0.58
PI4KB Q9UBF8 3/20 0.58
AHCY P23526 5/20 0.58
ADORA2B P29275 2/20 0.56
CYP3A4 P08684 1/20 0.54
EGFR P00533 1/20 0.53
ADCY5 O95622 1/20 0.49

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
SCHEMBL27432827 0.88 ADORA2A (0.62) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL7396925 0.87 ALDH1A1 (0.70) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL6045563 0.84 ADORA2A (0.61) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL6532875 0.84 ALDH1A1 (0.73) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL2049965 0.82 ALDH1A1 (1.00) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL10683911 0.82 ALDH1A1 (0.75) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL2270408 0.82 ALDH1A1 (0.75) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL2049963 0.82 ALDH1A1 (1.00) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL2049962 0.82 ALDH1A1 (1.00) ALDH1A1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL13394189 0.81 ADORA2A (0.76) ALDH1A1ADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252774-A1 Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases NEW JERSEY, UNIVERSITY OF MEDICINE AND DENTISTRY OF 2006-11-09 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 (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-20060252774-A1 Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases ADCY5, ADCY6, ADCY2 ALDH1A1 1333/4885ADORA2A 303/4885ADORA1 398/4885

“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.