SCHEMBL6514575

SCHEMBL6514575

Nc1ccc(CCSc2nc(N)c3ncn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)c3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 1.00
P2RY12 Q9H244 4/20 0.74
P2RY1 P47900 4/20 0.74
P2RY11 Q96G91 3/20 0.74
ENPP1 P22413 2/20 0.74
P2RX1 P51575 1/20 0.74
P2RY6 Q15077 1/20 0.74
P2RX4 Q99571 1/20 0.74
ENTPD2 Q9Y5L3 1/20 0.64
ADORA3 P0DMS8 1/20 0.62
GPR17 Q13304 1/20 0.62

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
SCHEMBL29614811 1.00 P2RX3 (1.00) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL6514561 1.00 P2RX3 (1.00) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL8861601 0.92 P2RX3 (0.84) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL3318315 0.88 P2RX3 (0.78) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL375601 0.85 P2RY1 (1.00) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL375602 0.85 P2RY1 (1.00) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL10120953 0.85 P2RY1 (1.00) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL29381860 0.85 P2RY1 (1.00) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL8861621 0.84 P2RX3 (0.73) P2RX3P2RY12P2RY1P2RY11ENPP1
SCHEMBL8861627 0.84 P2RX3 (0.73) P2RX3P2RY12P2RY1P2RY11ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050053612-A1 Nucleotide regulation of immune responses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-10 US claimed
US-20050053612-A1 Nucleotide regulation of immune responses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-10 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-20050053612-A1 Nucleotide regulation of immune responses NT5C2, ENTPD5, ENTPD1 P2RX3 20/4885P2RY12 23/4885P2RY1 7/4885

“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.