SCHEMBL5363887

SCHEMBL5363887

CN[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.48
▸ ADORA2A P29274 4/20 0.48
▸ ADORA1 P30542 3/20 0.48
▸ CDK1 P06493 1/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HSP90B1 P14625 1/20 0.38
▸ NT5E P21589 2/20 0.38
▸ PNP P00491 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CD99 P14209 1/20 0.38
▸ CHKA P35790 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL14518672 0.84 ADORA3 (0.66) ADORA3ADORA2AADORA1HSP90B1CHKA
SCHEMBL5369682 0.83 ADORA3 (0.48) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL5372681 0.83 ADORA3 (0.48) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL14518669 0.83 ADORA3 (0.55) ADORA3ADORA2AADORA1HSP90B1NT5E
SCHEMBL5363882 0.83 ADORA3 (0.54) ADORA3ADORA2AADORA1HSP90B1NT5E
SCHEMBL14518670 0.75 NT5E (0.45) ADORA3ADORA2AADORA1PDE2ANT5E
SCHEMBL14543434 0.75 ADORA3 (0.58) ADORA3ADORA2AADORA1HSP90B1NT5E
SCHEMBL5359757 0.74 ADORA3 (0.52) ADORA3ADORA2AADORA1
SCHEMBL5359756 0.74 ADORA3 (0.52) ADORA3ADORA2AADORA1
SCHEMBL14543433 0.74 ADORA3 (0.43) ADORA3ADORA2AADORA1PDE4DPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199127-B2 Purine nucleosides UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-04-03 — — US disclosed
US-20050256143-A1 Purin-9-yl-tetrahydrothiophene-3,4-diols; anticarcinogenic agents selective to A3 adenosine receptors; breast cancer Government of the United States of America, repres ented by The Secretary, Department of Health and (US) 2005-11-17 — — US disclosed
EP-1578758-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-28 — — EP disclosed
WO-2004038006-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-05-06 — — WO 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-20050256143-A1 Purin-9-yl-tetrahydrothiophene-3,4-diols; anticarcinogenic agents selective to A3 adenosine receptors; breast cancer ADORA3, P2RX3, P2RY1 ADORA3 1/4885ADORA2A 6/4885ADORA1 5/4885

“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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