SCHEMBL3512412

SCHEMBL3512412

NC1=c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2=NCN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.53
P2RX3 P56373 2/20 0.52
P2RX2 Q9UBL9 2/20 0.52
GPR17 Q13304 2/20 0.51
P2RY6 Q15077 8/20 0.50
P2RY2 P41231 7/20 0.50
P2RY4 P51582 4/20 0.50
P2RY12 Q9H244 3/20 0.50
P2RX4 Q99571 1/20 0.50
RNASEL Q05823 3/20 0.49
P2RY1 P47900 2/20 0.48
ENPP1 P22413 1/20 0.48

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
SCHEMBL625829 0.83 P2RY1 (0.57) P2RX3P2RX2P2RY6P2RY2P2RY12
SCHEMBL8028076 0.78 P2RX3 (0.48) P2RX3P2RX2GPR17P2RY6P2RY2
SCHEMBL6704190 0.78 ATIC (0.57) P2RX3P2RX2P2RY2P2RX4RNASEL
SCHEMBL4377679 0.78 RNASEL (0.51) P2RX3P2RX2GPR17P2RY6P2RY2
SCHEMBL2449672 0.77 ATIC (0.56) P2RX3P2RY2RNASELP2RY1
SCHEMBL3444128 0.75 PDE2A (0.45) NT5E
SCHEMBL13269025 0.75 ADORA2A (0.41) NT5E
SCHEMBL10768528 0.75 SLC29A1 (0.38) NT5EP2RX3GPR17ENPP1
SCHEMBL5721746 0.74 P2RX3 (0.52) P2RX3P2RX2GPR17P2RY6P2RY2
SCHEMBL6883604 0.74 GPR17 (0.64) NT5EP2RX3P2RX2GPR17P2RY6

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
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 claimed
US-20060199768-A1 Inhibitors of RecA activities for control of antibiotic-resistant bacterial pathogens UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2006-09-07 US claimed
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
US-20060199768-A1 Inhibitors of RecA activities for control of antibiotic-resistant bacterial pathogens UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2006-09-07 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 (3 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-20060199768-A1 Inhibitors of RecA activities for control of antibiotic-resistant bacterial pathogens RECQL, DNA2, WRN NT5E 601/4885P2RX3 1480/4885P2RX2 1581/4885
US-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, DNA2, WRN NT5E 601/4885P2RX3 1480/4885P2RX2 1581/4885
US-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, WRN, ADAR NT5E 296/4885P2RX3 757/4885P2RX2 763/4885

“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.