SCHEMBL4093938

SCHEMBL4093938

Nc1ncnc2c1ncn2COC(O)CCO

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 10/20 0.61
ADORA2A P29274 6/20 0.61
ADORA1 P30542 4/20 0.59
ALDH1A1 P00352 1/20 0.52
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
ADORA2B P29275 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
Phosphoric Acid SCHEMBL10601870 0.94 AHCY (0.55) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL4093935 0.82 ADORA2A (0.64) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL30292318 0.82 ADORA2A (0.64) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL2293264 0.82 ADORA2A (0.68) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL10284145 0.81 AHCY (0.60) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL14472999 0.81 AHCY (0.60) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL13394191 0.80 AHCY (0.79) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL14379019 0.80 ADORA2A (0.60) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL11487766 0.78 ADORA2A (0.71) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL2293269 0.78 ADORA2A (0.66) AHCYADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 US disclosed
EP-2001488-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES Alt Solutions, Inc. (US) 2008-12-17 EP disclosed
WO-2007106561-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES ALT SOLUTIONS, INC. (US) 2007-09-20 WO disclosed
EP-0138656-B1 CYCLIC PYROPHOSPHATES OF PURINE AND PYRIMIDINE ACYCLONUCLEOSIDES, THEIR PREPARATION AND THEIR APPLICATION IN ANTI-VIRAL COMPOSITIONS MERCK & CO. INC. (US) 1989-09-27 EP disclosed
US-4670424-A Cyclic pyrophosphates of purine and pyrimidine acyclonucleosides MERCK & CO., INC. (US) 1987-06-02 US disclosed
EP-0138656-A1 Cyclic pyrophosphates of purine and pyrimidine acyclonucleosides, their preparation and their application in anti-viral compositions MERCK & CO. INC. (US) 1985-04-24 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 (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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases TERT, POLRMT, RNASE1 AHCY 476/4885ADORA2A 1461/4885ADORA1 2194/4885

“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.