SCHEMBL242835

SCHEMBL242835

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA2A P29274 15/20 0.41
ADORA3 P0DMS8 14/20 0.40
ADORA1 P30542 8/20 0.39

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
SCHEMBL1412184 0.84 ADORA3 (0.44) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1412185 0.84 ADORA3 (0.44) LMNATP53ALDH1A1MAPTTDP1
Acetic Acid SCHEMBL243164 0.84 ADORA2A (0.44) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242860 0.84 ADORA2A (0.45) ADORA2AADORA3
SCHEMBL242859 0.84 ADORA2A (0.45) ADORA2AADORA3
SCHEMBL241874 0.83 ADORA2A (0.58) ADORA2AADORA3ADORA1
SCHEMBL243880 0.82 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL293365 0.81 ADORA2A (0.57) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1412247 0.81 ADORA2A (0.57) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1833924 0.81 ADORA2A (0.57) LMNATP53ALDH1A1MAPTTDP1

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
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP 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-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885

“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.