SCHEMBL1683802

SCHEMBL1683802

Sc1ncnc2c1ncn2-n1cnc2c(S)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.35
ADORA1 P30542 7/20 0.35
YTHDC1 Q96MU7 1/20 0.33
PI4KA P42356 7/20 0.32
PI4K2B Q8TCG2 7/20 0.32
PI4K2A Q9BTU6 7/20 0.32
PI4KB Q9UBF8 7/20 0.32
ADORA2B P29275 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 1/20 0.31
ADORA3 P0DMS8 2/20 0.30

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
SCHEMBL5490469 0.78 ADORA2A (0.37) ADORA2AADORA1YTHDC1PI4KAPI4K2B
SCHEMBL3857168 0.78 ADORA1 (0.60) ADORA2AADORA1YTHDC1PI4KAPI4K2B
SCHEMBL1445604 0.77 ALDH1A1 (0.33)
SCHEMBL9710158 0.74
SCHEMBL5403761 0.74 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11033550 0.72 ADORA2A (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11269779 0.71 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10387483 0.69 ADORA2A (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10387490 0.67 TLR7 (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3210897 0.67 ADORA2A (0.35) ADORA2A

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
EP-1201678-B1 NOVEL BICYCLONUCLEOSIDE ANALOGUES SANKYO CO (JP) 2004-09-22 EP claimed
US-20110082101-A1 COMBINATIONS COMPRISING EPOTHILONES AND ANTI-METABOLITES HOHNEKER JOHN ARTHUR 2011-04-07 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-20110082101-A1 COMBINATIONS COMPRISING EPOTHILONES AND ANTI-METABOLITES EPOR, POLN, TPMT ADORA2A 1286/4885ADORA1 1450/4885YTHDC1 4592/4885

“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.