SCHEMBL13296259

SCHEMBL13296259

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.84
ALDH1A1 P00352 2/20 0.84
TP53 P04637 2/20 0.84
MAPT P10636 1/20 0.84
TDP1 Q9NUW8 1/20 0.84
ACHE P22303 5/20 0.53
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
NT5E P21589 2/20 0.52
HINT1 P49773 2/20 0.49
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
ADORA3 P0DMS8 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1120550 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3478703 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL1120556 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL278443 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL1120553 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL313898 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13924747 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3427712 1.00 LMNA (0.84) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL6363586 0.95 LMNA (0.76) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL17198377 0.93 ALDH1A1 (0.73) LMNAALDH1A1TP53MAPTTDP1

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-7737127-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-15 US disclosed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 US disclosed
US-7214665-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-08 US 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B LMNA 2031/4885ALDH1A1 1012/4885TP53 4748/4885
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 LMNA 1231/4885ALDH1A1 635/4885TP53 4422/4885

“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.