SCHEMBL6045856

SCHEMBL6045856

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4K2A Q9BTU6 6/20 0.49
PI4KA P42356 5/20 0.49
PI4K2B Q8TCG2 5/20 0.49
PI4KB Q9UBF8 5/20 0.49
ADORA2A P29274 5/20 0.44
ADORA3 P0DMS8 3/20 0.44
SLC28A1 O00337 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
P2RY1 P47900 1/20 0.42
ADCY5 O95622 2/20 0.42
HSP90B1 P14625 1/20 0.41
ADORA1 P30542 2/20 0.40
AHCY P23526 2/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL6045694 1.00 PI4K2A (0.49) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL6045701 0.74 PI4KA (0.49) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL6045783 0.74 PI4KA (0.49) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL10432167 0.74 SLC28A1 (0.48) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL23969763 0.73 PI4K2A (0.56) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL979021 0.67 ADORA2A (0.58) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL14956938 0.67 ADORA2A (0.58) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL27438888 0.67 PI4KA (0.67) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL10669003 0.66 PI4KA (1.00) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL4745239 0.65 PI4K2A (0.52) PI4K2API4KAPI4K2BPI4KBADORA2A

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 PI4K2A 2756/4885PI4KA 3192/4885PI4K2B 3248/4885

“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.