SCHEMBL23098404

SCHEMBL23098404

CSc1nc(N)c2ncn(C3C[C@](C)(CO)C(O)C3O)c2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 11/20 0.52
AHCY P23526 2/20 0.45
ENPP1 P22413 2/20 0.44
P2RY12 Q9H244 2/20 0.44
ADORA3 P0DMS8 3/20 0.44
P2RY11 Q96G91 3/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RY6 Q15077 1/20 0.44
P2RX4 Q99571 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90B1 P14625 1/20 0.44
ADORA1 P30542 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
SCHEMBL22399998 1.00 P2RY1 (0.52) P2RY1AHCYENPP1P2RY12ADORA3
SCHEMBL19464889 1.00 P2RY1 (0.52) P2RY1AHCYENPP1P2RY12ADORA3
SCHEMBL19503291 1.00 P2RY1 (0.52) P2RY1AHCYENPP1P2RY12ADORA3
SCHEMBL19465002 1.00 P2RY1 (0.52) P2RY1AHCYENPP1P2RY12ADORA3
SCHEMBL19807561 1.00 P2RY1 (0.52) P2RY1AHCYENPP1P2RY12ADORA3
SCHEMBL19807393 0.92 P2RY1 (0.50) P2RY1AHCYENPP1P2RY12ADORA3
SCHEMBL21257361 0.85 P2RY1 (0.51) P2RY1ADORA3ADORA1
SCHEMBL23125573 0.85 ADORA3 (0.61) P2RY1ADORA3LMNAHSP90AA1HSP90B1
SCHEMBL23125574 0.85 ADORA3 (0.61) P2RY1ADORA3LMNAHSP90AA1HSP90B1
SCHEMBL19503357 0.85 ADORA3 (0.61) P2RY1ADORA3LMNAHSP90AA1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839615-B2 Compounds and methods for treating addiction and related disorders ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-01 US disclosed
US-20220000899-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-01-06 US disclosed
US-20210077518-A1 POLYMORPHIC COMPOUNDS AND USES THEREOF ASTROCYTE PHARMACEUTICALS, INC. 2021-03-18 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 (4 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-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 P2RY1 113/4885AHCY 197/4885ENPP1 778/4885
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 P2RY1 1828/4885AHCY 1352/4885ENPP1 1887/4885
US-20220000899-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885AHCY 1352/4885ENPP1 1887/4885
US-20210077518-A1 POLYMORPHIC COMPOUNDS AND USES THEREOF HLA-DRB1, HLA-C, HLA-B P2RY1 2238/4885AHCY 1231/4885ENPP1 1560/4885

“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.