SCHEMBL2312787

SCHEMBL2312787

C=CC1(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OC(C)=O)C1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.43
P2RY12 Q9H244 5/20 0.37
ADORA2A P29274 5/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ACHE P22303 1/20 0.36
ADORA2B P29275 4/20 0.36

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
SCHEMBL2312781 0.80 PRMT6 (0.44) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL5557366 0.78 PRMT6 (0.48) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL2316692 0.78 AHCY (0.47) ADORA1
SCHEMBL5557369 0.78 PRMT6 (0.48) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL24499125 0.77 PRMT6 (0.47) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL16991484 0.77 PRMT6 (0.48) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL28602756 0.77 PRMT6 (0.47) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL3219117 0.77 PRMT6 (0.47) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL1096076 0.77 PRMT6 (0.47) PRMT6P2RY12ADORA2AADORA3ADORA1
SCHEMBL29770525 0.77 PRMT6 (0.47) PRMT6P2RY12ADORA2AADORA3ADORA1

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-8513214-B2 C4′-substituted-2-deoxyadenosine analogs and methods of treating HIV THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-08-20 US disclosed
US-20110190226-A1 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV THE GOV. OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2011-08-04 US disclosed
EP-2207554-A2 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2010-07-21 EP disclosed
WO-2009064387-A2 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV GOV'T OF THE U.S.A, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2009-05-22 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-20110190226-A1 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV ADORA3, ADA, ADAR PRMT6 2164/4885P2RY12 266/4885ADORA2A 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.