SCHEMBL4799614

SCHEMBL4799614

CC(=O)OCC1OC(n2cnc3c(NCc4ccc(Cl)cc4)nc(C#N)nc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CTSL P07711 6/20 0.55
ACHE P22303 3/20 0.54
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
ADORA3 P0DMS8 3/20 0.49
CTSB P07858 1/20 0.49
NT5E P21589 3/20 0.46
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL4799587 1.00 ALDH1A1 (0.59) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4799606 1.00 ALDH1A1 (0.59) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120510 0.92 ACHE (0.62) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120513 0.92 ACHE (0.62) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120509 0.92 ACHE (0.62) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4803791 0.90 ALDH1A1 (0.61) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4803780 0.90 ALDH1A1 (0.61) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4803787 0.90 ALDH1A1 (0.61) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5408057 0.90 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5408062 0.90 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1

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-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 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 (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-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ALDH1A1 77/4885LMNA 1717/4885TP53 3996/4885

“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.