SCHEMBL8960152

SCHEMBL8960152

C[C@@H]1C=C[C@H](n2cnc3c(Cl)nc(Cl)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TP53 P04637 3/20 0.43
ADORA3 P0DMS8 11/20 0.39
ADORA1 P30542 7/20 0.39
ADORA2A P29274 5/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
YTHDC1 Q96MU7 1/20 0.37
PNP P00491 1/20 0.36
HTT P42858 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL8918687 0.83 LMNA (0.49) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL242794 0.83 LMNA (0.49) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL4360551 0.81 LMNA (0.42) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL30827047 0.80 PDE4D (0.55) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL3040267 0.80 PDE4D (0.55) LMNATP53ADORA3ADORA1ADORA2A
Bicarbonate SCHEMBL3023220 0.78 LMNA (0.42) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL30827039 0.78 LMNA (0.52) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL12050236 0.78 LMNA (0.40) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL3023218 0.76 LMNA (0.41) LMNATP53ADORA3ADORA1ADORA2A
SCHEMBL589029 0.76 LMNA (0.39) LMNATP53ADORA3ADORA1ADORA2A

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 6 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-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 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 (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-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 LMNA 2590/4885TP53 3965/4885ADORA3 3/4885
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 LMNA 2569/4885TP53 3227/4885ADORA3 4/4885

“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.