SCHEMBL1934441

SCHEMBL1934441

Nc1ncnc2c1ncn2C1C=CCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.63
PI4KA P42356 4/20 0.60
PI4K2B Q8TCG2 4/20 0.60
PI4K2A Q9BTU6 4/20 0.60
PI4KB Q9UBF8 4/20 0.60
ADORA3 P0DMS8 2/20 0.60
ADORA1 P30542 2/20 0.60
ADORA2B P29275 1/20 0.60
AHCY P23526 4/20 0.53
NFKB1 P19838 2/20 0.53
BLM P54132 2/20 0.53
TP53 P04637 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
APEX1 P27695 1/20 0.53
KMT2A Q03164 1/20 0.53
ADCY1 Q08828 1/20 0.53

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
SCHEMBL30166469 1.00 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12280365 1.00 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8885831 0.80 ADORA2A (0.60) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28984637 0.78 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL14046406 0.77 ADCY5 (0.62) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL14046400 0.77 ADCY5 (0.62) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9147328 0.75 ADCY5 (0.64) ADORA2AAHCYADCY5
SCHEMBL8660508 0.75 ADCY5 (0.64) ADORA2AAHCYADCY5
SCHEMBL9786788 0.75 AHCY (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL978424 0.75 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB

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
EP-1150988-A1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LIMITED (GB) 2001-11-07 EP claimed
WO-2000047591-A1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LIMITED (GB) 2000-08-17 WO claimed
US-20110237606-A1 3-Deazaneplanocin Derivatives AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH 2011-09-29 US disclosed
EP-2331543-A1 3-DEAZANEPLANOCIN DERIVATIVES Agency For Science, Technology And Research (SG) 2011-06-15 EP disclosed
WO-2010036213-A1 3-DEAZANEPLANOCIN DERIVATIVES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-01 WO 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-20110237606-A1 3-Deazaneplanocin Derivatives EZH2, SUZ12, DAZAP1 ADORA2A 4784/4885PI4KA 1765/4885PI4K2B 1727/4885

“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.