SCHEMBL19322740

SCHEMBL19322740

Cc1nc(N)c2c(C(N)=O)cn([C@@H]3O[C@H](CO)C(O)[C@@]3(C)O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.48
ADA P00813 1/20 0.43
ADK P55263 1/20 0.38
ADORA3 P0DMS8 10/20 0.37
ADORA1 P30542 6/20 0.37
ADORA2B P29275 4/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
S1PR4 O95977 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
SLC29A1 Q99808 1/20 0.35
NT5E P21589 1/20 0.33

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
SCHEMBL18484829 1.00 ADORA2A (0.48) ADORA2AADAADKADORA3ADORA1
SCHEMBL18868168 0.89 PDE4D (0.39) ADORA2AADAADKNPC1GALR3
SCHEMBL18484832 0.88 PDE4D (0.48) ADORA2AADKNPC1GALR3S1PR4
SCHEMBL6379623 0.85 ADORA2A (0.46) ADORA2AADAADKADORA3ADORA1
SCHEMBL1738024 0.84 ADORA2A (0.62) ADORA2AADAADKADORA3ADORA1
SCHEMBL12031305 0.84 ADORA2A (0.62) ADORA2AADAADKADORA3ADORA1
SCHEMBL14470815 0.84 ADORA2A (0.62) ADORA2AADAADKADORA3ADORA1
SCHEMBL19126270 0.84 ADORA2A (0.35) ADORA2AADAADKADORA1ADORA2B
SCHEMBL18484827 0.84 ADORA2A (0.35) ADORA2AADAADKADORA1ADORA2B
SCHEMBL22156516 0.83 ADORA2A (0.48) ADORA2AADAADORA3ADORA1ADORA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-09-07 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 (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-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD ADORA2A 359/4885ADA 46/4885ADK 566/4885

“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.