SCHEMBL8960194

SCHEMBL8960194

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.56
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
ADORA3 P0DMS8 10/20 0.45
ADORA1 P30542 6/20 0.45
ADORA2A P29274 5/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL12050237 1.00 AHCY (0.56) AHCYLMNATP53ADORA3ADORA1
SCHEMBL1908637 0.88 AHCY (0.55) AHCYADORA3ADORA1ADORA2A
SCHEMBL26381988 0.86 AHCY (0.57) AHCYLMNATP53ADORA3ADORA1
SCHEMBL293326 0.84 AHCY (0.57) AHCYLMNATP53ADORA3ADORA1
SCHEMBL243600 0.84 AHCY (0.57) AHCYLMNATP53ADORA3ADORA1
SCHEMBL293325 0.84 AHCY (0.57) AHCYLMNATP53ADORA3ADORA1
SCHEMBL1841287 0.84 AHCY (0.57) AHCYLMNATP53ADORA3ADORA1
SCHEMBL17243942 0.84 AHCY (0.51) AHCYADORA3ADORA1ADORA2A
SCHEMBL4348432 0.82 LMNA (0.48) AHCYLMNATP53ADORA3ADORA1
SCHEMBL3007619 0.80 LMNA (0.46) AHCYLMNATP53ADORA3ADORA1

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-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 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 (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-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 AHCY 2138/4885LMNA 2569/4885TP53 3227/4885

“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.