SCHEMBL19503298

SCHEMBL19503298

CNc1nc(Cl)nc2c1ncn2[C@@H]1C[C@](C)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.70
▸ P2RY2 P41231 3/20 0.70
▸ GPR17 Q13304 1/20 0.49
▸ ADORA3 P0DMS8 3/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ ADORA1 P30542 1/20 0.47
▸ NT5E P21589 1/20 0.46

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
SCHEMBL19503299 0.99 P2RY1 (0.69) P2RY1P2RY2GPR17ADORA3HTR2C
SCHEMBL19503304 0.92 P2RY1 (0.65) P2RY1P2RY2ADORA3HTR2CHTR2B
SCHEMBL19807533 0.89 P2RY1 (0.58) P2RY1P2RY2
SCHEMBL19503300 0.87 P2RY1 (0.67) P2RY1P2RY2ADORA3ADORA1NT5E
SCHEMBL21257379 0.86 P2RY1 (0.68) P2RY1P2RY2GPR17ADORA3
SCHEMBL21257381 0.86 P2RY1 (0.67) P2RY1P2RY2GPR17ADORA3HTR2C
SCHEMBL19503293 0.83 P2RY1 (1.00) P2RY1P2RY2ADORA3HTR2CHTR2B
SCHEMBL29318012 0.82 P2RY1 (0.98) P2RY1P2RY2ADORA3HTR2CHTR2B
SCHEMBL19503344 0.81 ADORA3 (0.64) P2RY1P2RY2ADORA3HTR2CHTR2B
SCHEMBL21257364 0.80 P2RY1 (0.66) P2RY1

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
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP 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
WO-2017185061-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-26 — — WO 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 (2 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 1796/4885GPR17 1627/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885GPR17 1627/4885

“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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