SCHEMBL17816355

SCHEMBL17816355

C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c2ncnc(C)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.77
DOT1L Q8TEK3 2/20 0.77
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
SLC29A1 Q99808 1/20 0.55
HIF1A Q16665 2/20 0.55
PAX8 Q06710 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
GALR3 O60755 1/20 0.53
S1PR4 O95977 1/20 0.53
MAPT P10636 1/20 0.53
S1PR1 P21453 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 1/20 0.53
STAT6 P42226 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL17800866 1.00 ADK (0.77) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL7106007 0.89 HIF1A (0.68) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL16978197 0.87 ADK (1.00) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL18744621 0.87 ADK (1.00) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL13092032 0.87 ADK (1.00) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL16968481 0.87 ADK (1.00) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL17800837 0.86 ADK (0.72) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL17800864 0.86 ADK (0.72) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL17800873 0.86 ADK (0.72) ADKDOT1LTMEM97SIGMAR1SLC29A1
SCHEMBL17800833 0.86 ADK (0.72) ADKDOT1LTMEM97SIGMAR1SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586986-B2 Substituted 7-deazapurine ribonucleosides for therapeutic uses INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2017-03-07 US disclosed
US-20160159844-A1 NOVEL SUBSTITUTED 7-DEAZAPURINE RIBONUCLEOSIDES FOR THERAPEUTIC USES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2016-06-09 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-20160159844-A1 NOVEL SUBSTITUTED 7-DEAZAPURINE RIBONUCLEOSIDES FOR THERAPEUTIC USES NSUN2, DUT, TYMP ADK 418/4885DOT1L 1297/4885TMEM97 4565/4885

“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.