SCHEMBL1370892

SCHEMBL1370892

Nc1ncnc2c1ncn2[PbH]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.60
ADORA1 P30542 8/20 0.60
PI4KA P42356 10/20 0.55
PI4K2B Q8TCG2 10/20 0.55
PI4K2A Q9BTU6 10/20 0.55
PI4KB Q9UBF8 10/20 0.55
ADORA2B P29275 4/20 0.55
EGFR P00533 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL580610 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL667204 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2342091 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11908593 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8284838 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9074153 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8069211 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1357265 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL106573 0.75 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
EP-2303884-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2011-04-06 EP disclosed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 WO disclosed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 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 (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-20110288106-A1 ADENINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885PI4KA 3268/4885

“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.