SCHEMBL6045801

SCHEMBL6045801

CC(C(=O)O)[C@H]1CC[C@H](n2cnc3c(N)ncnc32)C1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 11/20 0.62
ADORA2A P29274 4/20 0.60
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PI4KA P42356 3/20 0.54
PI4K2B Q8TCG2 3/20 0.54
PI4K2A Q9BTU6 3/20 0.54
PI4KB Q9UBF8 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
ADORA1 P30542 2/20 0.54
ADORA2B P29275 1/20 0.54
CHKA P35790 2/20 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
SCHEMBL6045575 1.00 ADCY5 (0.62) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL6045681 1.00 ADCY5 (0.62) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL6045512 1.00 ADCY5 (0.62) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL6045791 0.81 ADCY5 (0.67) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL6045631 0.81 ADCY5 (0.67) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL6045706 0.80 ADCY5 (0.76) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL6045812 0.80 ADCY5 (0.76) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL598755 0.79 ADORA2A (0.62) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL9685199 0.78 ADORA2A (0.55) ADCY5ADORA2ACYP1A2CYP3A4NFKB1
SCHEMBL6045578 0.77 ADCY5 (0.62) ADCY5ADORA2A

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 ADCY5 1/4885ADORA2A 303/4885CYP1A2 3951/4885

“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.