SCHEMBL2028602

SCHEMBL2028602

NC1c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2N=CN1C1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.61
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 2/20 0.50
BLM P54132 2/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
DNMT1 P26358 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
RAB9A P51151 1/20 0.50
HBB P68871 1/20 0.50
PMP22 Q01453 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL136037 1.00 ADA (0.61) ADAALDH1A1TP53HTTBLM
SCHEMBL3345754 0.91 ADA (0.60) ADAALDH1A1TP53HTTBLM
SCHEMBL5064838 0.89 ADA (0.60) ADAALDH1A1TP53HTTBLM
SCHEMBL772296 0.89 ADA (0.63) ADAALDH1A1TP53HTTBLM
SCHEMBL8861820 0.89 ADA (0.56) ADAALDH1A1TP53HTTBLM
SCHEMBL899393 0.88 ADA (0.58) ADAALDH1A1TP53HTTBLM
SCHEMBL288325 0.88 ADA (0.58) ADAALDH1A1TP53HTTBLM
SCHEMBL8000695 0.88 ADA (0.58) ADAALDH1A1TP53HTTBLM
SCHEMBL5555999 0.88 ADA (0.63) ADAALDH1A1TP53HTTBLM
SCHEMBL13727118 0.85 ADA (0.55) ADAALDH1A1TP53HTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10376515-B2 Analogs of adenosine monophosphate (AMP) as inhibitors of ubiquitin-like modifier-activating enzyme ATG7 NORTHWESTERN UNIVERSITY (US) 2019-08-13 US disclosed
US-20170312284-A1 ANALOGS OF ADENOSINE MONOPHOSPHATE (AMP) AS INHIBITORS OF UBIQUITIN-LIKE MODIFIER-ACTIVATING ENZYME ATG7 NORTHWESTERN UNIVERSITY (US) 2017-11-02 US disclosed
US-20110158922-A1 Skin Care Compositions and Method of Use Thereof IMMANENCE INTEGRALE DERMO CORRECTION INC. (CA) 2011-06-30 US disclosed
EP-2262469-A1 SKIN CARE COMPOSITIONS AND METHODS OF USE THEREOF Immanence Integrale Dermo Correction Inc. (CA) 2010-12-22 EP disclosed
WO-2009127058-A1 SKIN CARE COMPOSITIONS AND METHODS OF USE THEREOF IMMANENCE INTEGRALE DERMO CORRECTION INC. (CA) 2009-10-22 WO disclosed
US-5658889-A ADMINISTERING 5-AMINO-4-IMIDAZLECARBOXAMIDE RIBOSIDE WHICH BINDS ADENOSINE MONOPHOSPHATE SITE OF FRUCTOSE-1,6-DIPHOSPHATASE GENSIA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
US-5082829-A 5-amino-4-imidazolecarboxamide riboside to increase adenosine concentration, cardiovascular, seizures GENSIA PHARMACEUTICALS (US) 1992-01-21 US disclosed
EP-0427799-A4 METHOD AND COMPOUNDS FOR AICA RIBOSIDE DELIVERY AND FOR LOWERING BLOOD GLUCOSE 1991-07-24 EP disclosed
EP-0427799-A1 METHOD AND COMPOUNDS FOR AICA RIBOSIDE DELIVERY AND FOR LOWERING BLOOD GLUCOSE. GENSIA PHARMA (US) 1991-05-22 EP disclosed
WO-1990009163-A2 METHOD AND COMPOUNDS FOR AICA RIBOSIDE DELIVERY AND FOR LOWERING BLOOD GLUCOSE GENSIA PHARMACEUTICALS, INC. (US) 1990-08-23 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 (2 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-10376515-B2 Analogs of adenosine monophosphate (AMP) as inhibitors of ubiquitin-like modifier-activating enzyme ATG7 ATG7, BECN1, PRKAG1 ADA 93/4885ALDH1A1 2810/4885TP53 107/4885
US-20170312284-A1 ANALOGS OF ADENOSINE MONOPHOSPHATE (AMP) AS INHIBITORS OF UBIQUITIN-LIKE MODIFIER-ACTIVATING ENZYME ATG7 ATG7, BECN1, PRKAG1 ADA 93/4885ALDH1A1 2810/4885TP53 107/4885

“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.