SCHEMBL19799168

SCHEMBL19799168

CSc1nc(N)c2ncn([C@@H]3[C@H]4C[C@@]4(CO)C(O)[C@@H]3O)c2n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.73
▸ ADORA3 P0DMS8 11/20 0.72
▸ HSP90AA1 P07900 1/20 0.72
▸ HSP90B1 P14625 1/20 0.72
▸ ADORA2A P29274 3/20 0.67
▸ HTR2B P41595 4/20 0.65
▸ HTR2C P28335 3/20 0.65
▸ ADORA1 P30542 3/20 0.64
▸ TMEM97 Q5BJF2 1/20 0.60
▸ SIGMAR1 Q99720 1/20 0.60
▸ TMIGD3 P0DMS9 1/20 0.58
▸ ADRA2B P18089 1/20 0.55
▸ HTR2A P28223 1/20 0.55

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
SCHEMBL26934921 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL26934179 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL5803728 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL25611948 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL5803724 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL23098401 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL19459442 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL19459983 1.00 P2RY1 (0.73) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL19464849 0.90 P2RY1 (0.63) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A
SCHEMBL19464924 0.90 ADORA3 (0.70) P2RY1ADORA3HSP90AA1HSP90B1ADORA2A

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 3 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-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 — — US disclosed
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2018-01-25 — — 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 (3 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 113/4885ADORA3 3/4885HSP90AA1 3392/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885ADORA3 778/4885HSP90AA1 1092/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885ADORA3 778/4885HSP90AA1 1092/4885

“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.

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