SCHEMBL17359509

SCHEMBL17359509

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX2 Q9UBL9 1/20 0.49
P2RY11 Q96G91 1/20 0.47
SLC29A1 Q99808 4/20 0.45
ADORA2A P29274 6/20 0.44
ADORA3 P0DMS8 4/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2B P29275 4/20 0.44
CYP2C19 P33261 1/20 0.44
HINT1 P49773 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
SCHEMBL17357579 0.93 P2RY11 (0.46) P2RX3P2RX4P2RX2P2RY11SLC29A1
SCHEMBL8529895 0.85 P2RY11 (0.54) P2RX3P2RX4P2RX2P2RY11SLC29A1
SCHEMBL8529007 0.85 SLC29A1 (0.50) P2RY11SLC29A1ADORA2AADORA3ADORA1
SCHEMBL20058725 0.85 HINT1 (0.46) P2RX3P2RX4P2RX2P2RY11HINT1
SCHEMBL16870493 0.81 TAS1R3 (0.57) P2RX3P2RX4P2RX2P2RY11HINT1
SCHEMBL5621712 0.81 P2RX3 (0.55) P2RX3P2RX4P2RX2P2RY11ADORA2A
SCHEMBL6758742 0.80 P2RX3 (0.59) P2RX3P2RX4P2RX2P2RY11HINT1
SCHEMBL8529274 0.79 ALDH1A1 (0.53) SLC29A1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6761729 0.79 LMNA (0.58) P2RX3P2RX4P2RX2P2RY11HINT1
SCHEMBL6761727 0.79 LMNA (0.58) P2RX3P2RX4P2RX2P2RY11HINT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP P2RX3 240/4885P2RX4 179/4885P2RX2 398/4885

“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.