SCHEMBL9607782

SCHEMBL9607782

O=P(O)(O)OP(=O)(O)OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.98

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.98
P2RX2 Q9UBL9 3/20 0.98
DNPH1 O43598 2/20 0.87
NT5E P21589 5/20 0.80
P2RX4 Q99571 1/20 0.78
P2RY12 Q9H244 2/20 0.75
P2RY2 P41231 1/20 0.75
P2RY1 P47900 1/20 0.75
P2RY6 Q15077 1/20 0.75
ADORA3 P0DMS8 6/20 0.69
TP53 P04637 1/20 0.69
SLC29A1 Q99808 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
GPR17 Q13304 1/20 0.67

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
SCHEMBL29941330 1.00 P2RX3 (0.98) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL30076630 1.00 P2RX3 (0.98) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL13033867 1.00 P2RX3 (0.98) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL4319955 1.00 P2RX3 (0.98) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL14178287 0.99 P2RX3 (1.00) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL15794372 0.99 P2RX3 (1.00) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL30012699 0.99 P2RX3 (1.00) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL23440101 0.93 DNPH1 (1.00) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL14700471 0.93 DNPH1 (1.00) P2RX3P2RX2DNPH1NT5EP2RX4
SCHEMBL17022278 0.93 DNPH1 (1.00) P2RX3P2RX2DNPH1NT5EP2RX4

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-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2012-05-31 US disclosed
US-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-18 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 (2 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-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, DNA2, WRN P2RX3 1480/4885P2RX2 1581/4885DNPH1 2249/4885
US-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, WRN, ADAR P2RX3 757/4885P2RX2 763/4885DNPH1 2013/4885

“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.