SCHEMBL3351897

SCHEMBL3351897

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccc3ccccc23)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
DOT1L Q8TEK3 1/20 0.61
SLC29A1 Q99808 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
SLC28A3 Q9HAS3 1/20 0.61

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
SCHEMBL10339111 0.89 ADORA1 (0.55) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10339112 0.89 ADORA1 (0.55) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL9491623 0.88 ADORA1 (0.67) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3346039 0.88 ADORA1 (0.62) ADORA1SMN1; SMN2P2RY1P2RY2SRC
SCHEMBL9341019 0.87 ADORA1 (0.68) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10606033 0.86 NNMT (0.61) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2835155 0.86 ADORA1 (0.67) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2835149 0.86 ADORA1 (0.67) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL14017381 0.85 P2RY1 (0.75) SMN1; SMN2P2RY1P2RY2SRCTRPM2
SCHEMBL2166412 0.85 P2RY1 (0.75) SMN1; SMN2P2RY1P2RY2SRCTRPM2

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 10 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
WO-2009154828-A9 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-06 WO disclosed
WO-2009154828-A2 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-12-23 WO disclosed
EP-1874801-A4 INHIBITORS OF RECA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS UNIV NORTH CAROLINA (US) 2009-03-25 EP disclosed
EP-1874801-A2 INHIBITORS OF RECA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS The University of North Carolina at Chapel Hill (US) 2008-01-09 EP disclosed
WO-2006096757-A2 INHIBITORS OF RECA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-09-14 WO 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
EP-0179631-B1 N6-ACENAPHTHYL ADENOSINES AND ANALOGS THEREOF WARNER-LAMBERT COMPANY (US) 1989-04-26 EP disclosed
EP-0179631-A2 N6-acenaphthyl adenosines and analogs thereof WARNER-LAMBERT COMPANY (US) 1986-04-30 EP 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 ADORA1 1192/4885SMN1; SMN2 3098/4885ADORA3 1340/4885
US-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, DNA2, WRN ADORA1 1192/4885SMN1; SMN2 3098/4885ADORA3 1340/4885
US-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, WRN, ADAR ADORA1 205/4885SMN1; SMN2 2607/4885ADORA3 270/4885

“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.