SCHEMBL6045783

SCHEMBL6045783

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
SLC28A1 O00337 1/20 0.44
HSP90B1 P14625 2/20 0.43
P2RY1 P47900 1/20 0.42
ADCY5 O95622 7/20 0.42
AHCY P23526 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA1 P30542 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
SCHEMBL6045701 1.00 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL6045694 0.74 PI4K2A (0.49) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL6045856 0.74 PI4K2A (0.49) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL27437232 0.69 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL10432167 0.69 SLC28A1 (0.48) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL23969763 0.68 PI4K2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL10669003 0.66 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL27438888 0.65 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL27599134 0.65 GSK3B (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30139991 0.64 ADORA2A (0.48) PI4KAPI4K2BPI4K2API4KBADORA3

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

“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.