SCHEMBL29520452

SCHEMBL29520452

Cc1ncc(-c2cnc(N)c(N)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3C3 Q8NEB9 3/20 0.38
PIK3CA P42336 7/20 0.38
ADORA2A P29274 2/20 0.37
BACE1 P56817 1/20 0.36
SYK P43405 1/20 0.34
NOS1 P29475 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MTOR P42345 1/20 0.32
PTGS2 P35354 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL13629651 0.74 ASIC3 (0.48) PIK3CGPIK3CDPIK3CBPIK3C3ADORA2A
SCHEMBL10442596 0.73 HCAR2 (0.46) PIK3CGPIK3CDPIK3CBPIK3C3ADORA2A
SCHEMBL17203567 0.72 ADORA2A (0.42) PIK3CGPIK3CDPIK3CBPIK3C3PIK3CA
SCHEMBL20040131 0.71 NOS1 (0.54) PIK3CGPIK3CDPIK3CBPIK3C3ADORA2A
SCHEMBL17204254 0.71 PIK3CG (0.54) PIK3CGPIK3CDPIK3CBPIK3C3PIK3CA
SCHEMBL14041780 0.71 GAA (0.43)
SCHEMBL4146257 0.69
SCHEMBL17203507 0.68 PIK3CD (0.49) PIK3CGPIK3CDPIK3CBPIK3C3PIK3CA
SCHEMBL17032982 0.68 SYK (0.39) PIK3CGPIK3CDPIK3CBPIK3C3PIK3CA
SCHEMBL15859041 0.68 CCR1 (0.54) ADORA2ANOS3NOS2

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-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 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-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 PIK3CG 410/4885PIK3CD 366/4885PIK3CB 422/4885

“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.