SCHEMBL19807532

SCHEMBL19807532

CNc1nc(SC)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)O)C[C@H]12

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 14/20 0.78
▸ P2RY2 P41231 2/20 0.68
▸ ADORA3 P0DMS8 3/20 0.58
▸ HTR2B P41595 3/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ HTR2A P28223 1/20 0.56

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
SCHEMBL29318115 1.00 P2RY1 (0.78) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807534 0.93 P2RY1 (0.79) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19464927 0.92 P2RY1 (0.66) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19459519 0.89 P2RY1 (0.71) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL29318022 0.88 P2RY1 (0.86) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807536 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL19464936 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL21710883 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL19464939 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL19464923 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B

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-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2020-02-13 — — US disclosed
US-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-04-23 — — 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-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885ADORA3 778/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885ADORA3 778/4885
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885ADORA3 778/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885ADORA3 778/4885

“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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