SCHEMBL638909

SCHEMBL638909

Nc1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nc2[nH]nc(I)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UMPS P11172 1/20 0.39
PYGL P06737 5/20 0.39
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
ADK P55263 2/20 0.36
DOT1L Q8TEK3 1/20 0.36
DCLK1 O15075 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36

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
Ribose (Furanose) SCHEMBL4077632 0.74 ADK (0.52) MAPTSMN1; SMN2STAT6HIF1AADK
Ribose (Furanose) SCHEMBL5576202 0.74 ADK (0.52) MAPTSMN1; SMN2STAT6HIF1AADK
SCHEMBL11850529 0.74 UMPS (0.38) UMPSPYGLHIF1ACDK5
SCHEMBL3145876 0.73 PNP (0.40) UMPSKDM4EGMNNLMNAMAPT
SCHEMBL6135715 0.72 UMPS (0.45) UMPSPYGLKDM4EGMNNLMNA
SCHEMBL8466249 0.72 KDM4E (0.46) UMPSPYGLKDM4EGMNNLMNA
SCHEMBL30515232 0.72 UMPS (0.41) UMPSPYGLKDM4ELMNAMAPT
SCHEMBL4436402 0.72 HIF1A (0.43) LMNABLMCYP1A2HIF1A
SCHEMBL240028 0.72 HIF1A (0.43) LMNABLMCYP1A2HIF1A
SCHEMBL11290857 0.72 PYGL (0.39) PYGLKDM4EGMNNLMNAMAPT

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
EP-1575973-B1 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2017-08-23 EP disclosed
US-8119614-B2 Substitution derivatives of N6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-02-21 US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 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-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ADAR, ADORA2A, AMPD2 UMPS 40/4885PYGL 3822/4885KDM4E 292/4885

“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.