Sugi Predict

Sugi Predict / Compounds / SCHEMBL2313775

SCHEMBL2313775

SCHEMBL2313775

C=CC1(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)OC(n2cnc3c(N)ncnc32)CC1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.39
▸ ADORA1 P30542 2/20 0.36
▸ DOT1L Q8TEK3 3/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ PI4KA P42356 2/20 0.33
▸ PI4K2B Q8TCG2 2/20 0.33
▸ PI4K2A Q9BTU6 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADCY1 Q08828 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33

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
SCHEMBL2309313 0.78 AHCY (0.46) AHCYDOT1LPI4KAPI4K2BPI4K2A
SCHEMBL2312950 0.76 AHCY (0.39) AHCYDOT1LPI4K2AADAADORA2A
SCHEMBL2313778 0.76 AHCY (0.41) AHCYADORA1DOT1LPI4KAPI4K2B
SCHEMBL2313783 0.75 AHCY (0.39) AHCYADORA1DOT1LPI4KAPI4K2B
SCHEMBL7217681 0.71 AHCY (0.40) AHCYADORA1DOT1LPI4KAPI4K2B
SCHEMBL10448130 0.69 AHCY (0.48) AHCYADORA1ADORA2A
SCHEMBL8538161 0.69 AHCY (0.48) AHCYADORA1ADORA2A
SCHEMBL8537041 0.69 AHCY (0.48) AHCYADORA1ADORA2A
SCHEMBL5179151 0.67 ADORA2A (0.41) AHCYADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9309101 0.67 AHCY (0.45) AHCYADORA1PI4KAPI4K2BPI4K2A

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 AHCY 260/4885ADORA1 9/4885DOT1L 1806/4885

“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.