SCHEMBL13099174

SCHEMBL13099174

CSc1nc(N)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)CP(=O)(O)O)C(O)C3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 1.00
ENPP1 P22413 5/20 0.85
P2RY12 Q9H244 2/20 0.84
P2RY11 Q96G91 3/20 0.83
P2RX1 P51575 2/20 0.83
P2RX3 P56373 2/20 0.83
P2RY6 Q15077 1/20 0.83
P2RX4 Q99571 1/20 0.83
ENTPD2 Q9Y5L3 1/20 0.78
ALDH1A1 P00352 1/20 0.73
LMNA P02545 1/20 0.72
BLM P54132 1/20 0.72
KMT2A Q03164 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72

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
SCHEMBL12216627 0.93 P2RY1 (0.95) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL195864 0.92 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL195865 0.92 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL18089710 0.92 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL375601 0.91 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL18089712 0.91 P2RY1 (0.89) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL375602 0.91 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL29381860 0.91 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL10120953 0.91 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL13099166 0.90 P2RY1 (0.82) P2RY1ENPP1P2RY12P2RY11P2RX1

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-20100256086-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF BAR-ILAN UNIVETRSITY (IL) 2010-10-07 US disclosed
US-20100256086-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF BAR-ILAN UNIVETRSITY (IL) 2010-10-07 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-20100256086-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF P2RY2, P2RY1, CCR2 P2RY1 2/4885ENPP1 29/4885P2RY12 18/4885

“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.