SCHEMBL12216627

SCHEMBL12216627

CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.95

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.95
ENPP1 P22413 4/20 0.95
P2RY11 Q96G91 3/20 0.95
P2RX1 P51575 1/20 0.95
P2RX3 P56373 1/20 0.95
P2RY6 Q15077 1/20 0.95
P2RX4 Q99571 1/20 0.95
P2RY12 Q9H244 2/20 0.93
BLM P54132 2/20 0.79
LMNA P02545 1/20 0.79
KMT2A Q03164 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
PMP22 Q01453 1/20 0.77

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
SCHEMBL375601 0.97 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL375602 0.97 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL10120953 0.97 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL29381860 0.97 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL18089797 0.97 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL195864 0.96 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL195865 0.96 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL18089710 0.96 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL18089712 0.96 P2RY1 (0.89) P2RY1ENPP1P2RY11P2RX1P2RX3
SCHEMBL13099174 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX1P2RX3

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-2364086-B1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC (US) 2016-09-14 EP disclosed
US-8575127-B2 Antithrombotic diadenosine tetraphosphates and related analogs GLSYNTHESIS INC. (US) 2013-11-05 US disclosed
US-8575127-B2 Antithrombotic diadenosine tetraphosphates and related analogs GLSYNTHESIS INC. (US) 2013-11-05 US disclosed
US-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2011-10-20 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 (1 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-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GP6, P2RY6, PFKP P2RY1 17/4885ENPP1 80/4885P2RY11 22/4885

“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.