SCHEMBL5359757

SCHEMBL5359757

CNc1nc(Cl)nc2c1ncn2C1SC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 16/20 0.52
▸ ADORA1 P30542 6/20 0.52
▸ ADORA2A P29274 5/20 0.52
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ ADORA2B P29275 1/20 0.43
▸ YTHDC1 Q96MU7 1/20 0.43

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
SCHEMBL5359756 1.00 ADORA3 (0.52) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL5372681 0.87 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5369682 0.87 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL14518675 0.84 ADORA3 (0.48) ADORA3ADORA1ADORA2AYTHDC1
SCHEMBL14518674 0.84 ADORA3 (0.56) ADORA3ADORA1ADORA2A
SCHEMBL5365273 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2A
SCHEMBL14518677 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2A
SCHEMBL5364016 0.83 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5365914 0.83 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6395427 0.80 ADORA3 (0.69) ADORA3ADORA1ADORA2AHTR2CHTR2B

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 5 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-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 1/4885ADORA1 5/4885ADORA2A 6/4885

“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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