SCHEMBL10169502

SCHEMBL10169502

CC1(O)C(O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.80
ADA P00813 1/20 0.69
ADORA3 P0DMS8 8/20 0.56
ADORA1 P30542 6/20 0.56
ADORA2B P29275 4/20 0.56
ALOX15 P16050 1/20 0.56
AHCY P23526 1/20 0.50
CYP2C19 P33261 1/20 0.49

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
SCHEMBL14589609 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL15908433 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL474849 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL873738 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL10137892 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
2'-B-Methyl-Guanosine SCHEMBL11888942 0.90 ADORA2A (0.69) ADORA2AADAADORA3ADORA1ADORA2B
2'-B-Methyl-Guanosine SCHEMBL939849 0.90 ADORA2A (0.69) ADORA2AADAADORA3ADORA1ADORA2B
2'-B-Methyl-Guanosine SCHEMBL10316549 0.90 ADORA2A (0.69) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL29848577 0.90 ADORA2A (0.78) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL28952403 0.90 ADORA2A (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012158811-A2 PURINE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS RFS PHARMA, LLC (US) 2012-11-22 WO disclosed
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 US disclosed
WO-2010091386-A2 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS RFS PHARMA, LLC (US) 2010-08-12 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-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP ADORA2A 84/4885ADA 157/4885ADORA3 278/4885

“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.