SCHEMBL4093935

SCHEMBL4093935

Nc1ncnc2c1ncn2COC(CO)CO

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.64
ADORA1 P30542 4/20 0.64
AHCY P23526 10/20 0.62
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
BLM P54132 1/20 0.56
VCP P55072 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
PI4KA P42356 2/20 0.55
PI4K2B Q8TCG2 2/20 0.55
PI4K2A Q9BTU6 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
ADORA2B P29275 1/20 0.52

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
SCHEMBL30292318 1.00 ADORA2A (0.64) ADORA2AADORA1AHCYALDH1A1MEN1
Pyrophosphoric Acid SCHEMBL10602251 0.90 CYP3A4 (0.55) ADORA2AADORA1AHCYALDH1A1MEN1
SCHEMBL10474812 0.87 ADORA2A (0.52) ADORA2AADORA1AHCYCYP3A4PI4KA
SCHEMBL22193338 0.86 ADORA2A (0.69) ADORA2AADORA1AHCYLMNASMN1; SMN2
SCHEMBL30292313 0.86 ADORA2A (0.51) ADORA2AADORA1AHCYALDH1A1MEN1
SCHEMBL10601866 0.86 ENPP1 (0.53) ADORA2AADORA1AHCYALDH1A1MEN1
SCHEMBL10818140 0.85 ADORA2A (0.50) ADORA2AADORA1AHCYALDH1A1MEN1
SCHEMBL14472999 0.84 AHCY (0.60) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL10284145 0.84 AHCY (0.60) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL2293264 0.83 ADORA2A (0.68) ADORA2AADORA1AHCYALDH1A1CYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049072-A1 Guanine compounds and their use for the preparation of anti-viral agents SYNTEX (U.S.A.) INC. (US) 1982-04-07 EP claimed
US-20230330126-A1 MODIFIED ADENOSINE NUCLEOSIDE FOR USE IN THE TREATMENT OF VIRAL INFECTIONS IACHETTINI GIAMPIETRO (IT) 2023-10-19 US disclosed
US-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 US disclosed
US-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 US disclosed
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
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 US disclosed
US-5157120-A Guanine derivatives SYNTEX (U.S.A.) INC. (US) 1992-10-20 US 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-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 US disclosed
US-4609661-A HERPES VIRUS SYNTEX (U.S.A.) INC. (US) 1986-09-02 US disclosed
US-4556659-A Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-Di-0-substituted propoxymethyl)-purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1985-12-03 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
US-4501744-A Substituted-aza-cytosine compounds and anti-viral uses thereof ENS BIO LOGICALS INC. (CA) 1985-02-26 US disclosed
US-4461757-A 2-(N,N-DIALKYLAMINO-METHYLENE)-9-((2-HYDROXY-1 -(HYDROXYMETHYL)ETHOXY)METHYL)GUANINE ENS BIO LOGICALS INC. (CA) 1984-07-24 US disclosed
EP-0105135-A1 Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-di-0-substituted 1,3 dihydroxy-2-propoxymethyl) purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1984-04-11 EP disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 EP disclosed
US-4347360-A Ring open nucleoside analogues ENS BIO LOGICALS INC. (CA) 1982-08-31 US disclosed
EP-0049072-A1 Guanine compounds and their use for the preparation of anti-viral agents SYNTEX (U.S.A.) INC. (US) 1982-04-07 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 (2 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 ADORA2A 1461/4885ADORA1 2194/4885AHCY 476/4885
US-20230330126-A1 MODIFIED ADENOSINE NUCLEOSIDE FOR USE IN THE TREATMENT OF VIRAL INFECTIONS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 5/4885AHCY 81/4885

“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.