SCHEMBL19807424

SCHEMBL19807424

CSc1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(COP(=O)(O)OP(=O)(O)O)CC[C@H]34)c2n1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 17/20 0.85
▸ P2RY2 P41231 5/20 0.64
▸ P2RY11 Q96G91 4/20 0.60
▸ ENPP1 P22413 2/20 0.59
▸ P2RY12 Q9H244 1/20 0.59
▸ P2RX1 P51575 1/20 0.58
▸ P2RX3 P56373 1/20 0.58
▸ P2RY6 Q15077 1/20 0.58
▸ P2RX4 Q99571 1/20 0.58

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
SCHEMBL21710875 0.99 P2RY1 (0.85) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL21710862 0.93 P2RY1 (0.84) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL26934706 0.92 P2RY1 (1.00) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL19464970 0.92 P2RY1 (1.00) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL19459823 0.92 P2RY1 (1.00) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL19464973 0.91 P2RY1 (1.00) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL19464930 0.89 P2RY1 (0.68) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL19464929 0.88 P2RY1 (0.68) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL21710766 0.88 P2RY1 (0.83) P2RY1P2RY2P2RY11
SCHEMBL19807382 0.87 P2RY1 (0.84) P2RY1P2RY2P2RY11

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-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
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 (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-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885P2RY11 2159/4885
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885P2RY11 2159/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885P2RY11 2159/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 P2RY1 2266/4885P2RY2 1900/4885P2RY11 2031/4885

“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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