SCHEMBL13239706

SCHEMBL13239706

CC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](C)C1C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.66
▸ TP53 P04637 1/20 0.66
▸ SLC29A1 Q99808 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ TSHR P16473 1/20 0.59
▸ DNPH1 O43598 1/20 0.58
▸ CDK1 P06493 1/20 0.56
▸ NT5E P21589 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL13239703 0.82 NPC1 (0.61) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL27437734 0.80 ADORA3 (0.76) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL13239708 0.80 SLC29A1 (0.66) SLC29A1
N6-Benzyladenosine SCHEMBL219438 0.80 ADORA3 (1.00) ADORA3TP53SLC29A1TDP1TSHR
N6-Benzyladenosine SCHEMBL20419282 0.80 ADORA3 (1.00) ADORA3TP53SLC29A1TDP1TSHR
N6-Benzyladenosine SCHEMBL23982413 0.80 ADORA3 (1.00) ADORA3TP53SLC29A1TDP1TSHR
N6-Benzyladenosine SCHEMBL472635 0.80 ADORA3 (1.00) ADORA3TP53SLC29A1TDP1TSHR
N6-Benzyladenosine SCHEMBL20419317 0.80 ADORA3 (1.00) ADORA3TP53SLC29A1TDP1TSHR
N6-Benzyladenosine SCHEMBL472637 0.80 ADORA3 (1.00) ADORA3TP53SLC29A1TDP1TSHR
N6-Benzyladenosine SCHEMBL13966412 0.80 ADORA3 (1.00) ADORA3TP53SLC29A1TDP1TSHR

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-8501931-B2 Convertible nucleoside derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-06 — — US disclosed
US-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES LAKSHMAN MAHESH K 2010-07-15 — — 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-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES PNP, NUDT1, NUDT14 ADORA3 138/4885TP53 4142/4885SLC29A1 19/4885

“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.

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