SCHEMBL2458484

SCHEMBL2458484

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.44
P2RY1 P47900 2/20 0.44
P2RY12 Q9H244 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADORA3 P0DMS8 4/20 0.43
PMP22 Q01453 1/20 0.43
CYP2C19 P33261 1/20 0.43
ENPP1 P22413 1/20 0.42

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
SCHEMBL1938201 0.87 AHCY (0.46) LMNAADORA3CYP2C19
SCHEMBL6685951 0.87 AHCY (0.46) LMNAADORA3CYP2C19
SCHEMBL226038 0.86 ADORA2A (0.43) LMNAADORA3
SCHEMBL20798007 0.86 ADORA2A (0.43) LMNAADORA3
SCHEMBL6538264 0.85 ADORA2A (0.57) LMNAADORA3
Hydrogen Sulfide SCHEMBL28283740 0.82 PI4KA (0.54) KMT2AADORA3
Phosphoric Acid SCHEMBL1300003 0.81 RNASEL (0.42) ADORA3
SCHEMBL18537398 0.81 PI4KA (0.55) KMT2AADORA3
SCHEMBL13061814 0.81 PI4KA (0.55) KMT2AADORA3
SCHEMBL16258664 0.81 PI4KA (0.55) KMT2AADORA3

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 5 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-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2011-10-20 US disclosed
EP-2364086-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS Glsynthesis Inc. (US) 2011-09-14 EP disclosed
WO-2010059215-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2010-05-27 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 (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 BLM 279/4885P2RY1 17/4885P2RY12 27/4885

“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.