SCHEMBL22399995

SCHEMBL22399995

CSc1nc(N)c2ncn(C3CC(CO)[C@H](O)C[C@@H]3O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.57
ADORA2B P29275 1/20 0.50
P2RY1 P47900 5/20 0.49
ADORA3 P0DMS8 1/20 0.44
ENPP1 P22413 1/20 0.44
P2RY12 Q9H244 1/20 0.44
PNP P00491 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL29319924 1.00 AHCY (0.57) AHCYADORA2BP2RY1ADORA3ENPP1
SCHEMBL22399999 0.89 AHCY (0.73) AHCYADORA2BP2RY1ADORA3
SCHEMBL19503479 0.89 AHCY (0.73) AHCYADORA2BP2RY1ADORA3
SCHEMBL19503898 0.89 AHCY (0.73) AHCYADORA2BP2RY1ADORA3
SCHEMBL19503474 0.89 AHCY (0.49) AHCYP2RY1ADORA3ENPP1P2RY12
SCHEMBL16290177 0.88 AHCY (0.56) AHCYADORA2BP2RY1ENPP1P2RY12
SCHEMBL12330956 0.88 AHCY (0.56) AHCYADORA2BP2RY1ENPP1P2RY12
SCHEMBL29319896 0.83 PDE4D (0.62) AHCYADORA2BADORA3PNPLMNA
SCHEMBL9311442 0.81 AHCY (0.83) AHCYADORA2BPNPLMNATP53
SCHEMBL19503889 0.78 P2RY1 (0.47) P2RY1ENPP1P2RY12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
US-10765693-B2 Polymorphic compounds and uses thereof ASTROCYTE PHARMACEUTICALS, INC. (US) 2020-09-08 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-10765693-B2 Polymorphic compounds and uses thereof HLA-DRB1, HLA-C, HLA-B AHCY 1231/4885ADORA2B 276/4885P2RY1 2238/4885

“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.