SCHEMBL21710773

SCHEMBL21710773

Nc1nc(Cl)nc2c1ncn2[C@@]1(O)C[C@H]2C[C@@]2(CO)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.54
▸ HSP90B1 P14625 4/20 0.54
▸ HSP90AA1 P07900 2/20 0.54
▸ ADORA2A P29274 5/20 0.53
▸ ADORA1 P30542 4/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ PDE4D Q08499 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ PNP P00491 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ P2RY1 P47900 2/20 0.41
▸ CDK1 P06493 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.39

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
SCHEMBL21710750 0.91 ADORA3 (0.52) ADORA3HSP90B1HSP90AA1ADORA2AADORA1
SCHEMBL26934922 0.84 P2RY1 (0.44) ADORA3HSP90B1HSP90AA1ADORA2AADORA1
SCHEMBL22933030 0.84 P2RY1 (0.44) ADORA3HSP90B1HSP90AA1ADORA2AADORA1
SCHEMBL19807380 0.84 ADORA3 (0.56) ADORA3ADORA2AADORA1TMIGD3HTR2C
SCHEMBL22937442 0.84 P2RY1 (0.44) ADORA3HSP90B1HSP90AA1ADORA2AADORA1
SCHEMBL22937475 0.80 ADORA3 (0.50) ADORA3HSP90B1HSP90AA1ADORA2AADORA1
SCHEMBL19503946 0.77 ADORA3 (0.55) ADORA3HSP90B1HSP90AA1ADORA2AADORA1
SCHEMBL21710772 0.76 P2RY1 (0.42) ADORA3HSP90B1HSP90AA1ADORA1LMNA
SCHEMBL21710891 0.76 P2RY1 (0.42) ADORA3HSP90B1HSP90AA1ADORA1LMNA
SCHEMBL21710871 0.75 ADORA3 (0.64) ADORA3ADORA2AADORA1

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-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. 2021-02-04 — — US disclosed
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2020-02-13 — — 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-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885HSP90B1 1135/4885HSP90AA1 1092/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885HSP90B1 1135/4885HSP90AA1 1092/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 ADORA3 274/4885HSP90B1 3289/4885HSP90AA1 2925/4885

“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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