SCHEMBL21710772

SCHEMBL21710772

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 11/20 0.42
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ADORA3 P0DMS8 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90B1 P14625 1/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ ENPP1 P22413 2/20 0.36
▸ P2RY12 Q9H244 2/20 0.36
▸ P2RY11 Q96G91 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36

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
SCHEMBL21710891 1.00 P2RY1 (0.42) P2RY1HTR2CHTR2BADORA3HSP90AA1
SCHEMBL22937442 0.91 P2RY1 (0.44) P2RY1HTR2CHTR2BADORA3HSP90AA1
SCHEMBL26934922 0.91 P2RY1 (0.44) P2RY1HTR2CHTR2BADORA3HSP90AA1
SCHEMBL22933030 0.91 P2RY1 (0.44) P2RY1HTR2CHTR2BADORA3HSP90AA1
SCHEMBL21710750 0.85 ADORA3 (0.52) P2RY1ADORA3HSP90AA1HSP90B1ADORA1
SCHEMBL26934930 0.80 P2RY1 (0.41) P2RY1ENPP1P2RY12P2RY11LMNA
SCHEMBL19807554 0.78 HTR2B (0.43) P2RY1HTR2CHTR2BADORA3ADORA1
SCHEMBL21710773 0.76 ADORA3 (0.54) P2RY1HTR2CHTR2BADORA3HSP90AA1
SCHEMBL21710776 0.74 ADORA3 (0.43) P2RY1ADORA3ENPP1P2RY12
SCHEMBL19464849 0.73 P2RY1 (0.63) P2RY1HTR2CHTR2BADORA3HSP90AA1

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 P2RY1 1828/4885HTR2C 1443/4885HTR2B 1044/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885HTR2C 1443/4885HTR2B 1044/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 P2RY1 2266/4885HTR2C 40/4885HTR2B 99/4885

“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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