SCHEMBL16727958

SCHEMBL16727958

O=C(Nc1ncnc2c(C3OC(CO)C(O)C3O)cnn12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 1/20 0.39
▸ LGALS9 O00182 1/20 0.39
▸ LGALS1 P09382 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS7; LGALS7B P47929 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ ADK P55263 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HK1 P19367 1/20 0.39
▸ HK2 P52789 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NPY1R P25929 1/20 0.38

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
SCHEMBL21073965 1.00 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2BLGALS9
SCHEMBL25495898 1.00 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2BLGALS9
SCHEMBL25495889 0.85 LGALS9 (0.35) ADORA1ADORA3ADORA2AADORA2BLGALS9
SCHEMBL16731210 0.84 GALR3 (0.39) ADORA3ADORA2ALGALS9LGALS1LGALS3
SCHEMBL18521765 0.84 GALR3 (0.39) ADORA3ADORA2ALGALS9LGALS1LGALS3
SCHEMBL25495888 0.78 PTPN1 (0.32) LMNAALDH1A1RAB9ATSHR
SCHEMBL25495879 0.78 — —
SCHEMBL21073968 0.78 — —
SCHEMBL20243833 0.76 ABL1 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25495855 0.75 HIF1A (0.48) ADORA1ADORA3ADORA2AADORA2BADK

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
US-9994604-B2 Pyrazolotriazolyl nucleoside analogues and oligonucleotides comprising them BIO-LAB LTD. (IL) 2018-06-12 — — US disclosed
US-20150141490-A1 PYRAZOLOTRIAZOLYL NUCLEOSIDE ANALOGUES AND OLIGONUCLEOTIDES COMPRISING THEM BIO-LAB LTD. (IL) 2015-05-21 — — US disclosed
US-20150141490-A1 PYRAZOLOTRIAZOLYL NUCLEOSIDE ANALOGUES AND OLIGONUCLEOTIDES COMPRISING THEM BIO-LAB LTD. (IL) 2015-05-21 — — 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-20150141490-A1 PYRAZOLOTRIAZOLYL NUCLEOSIDE ANALOGUES AND OLIGONUCLEOTIDES COMPRISING THEM NT5C2, TK2, DUT ADORA1 1066/4885ADORA3 466/4885ADORA2A 258/4885

“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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