SCHEMBL5024006

SCHEMBL5024006

NCc1ccc(NC2=NCCN2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 16/20 0.76
ADRA2B P18089 15/20 0.76
ADRA2C P18825 15/20 0.76
PTGIR P43119 3/20 0.61
GPR65 Q8IYL9 1/20 0.57
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54

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
SCHEMBL13017196 0.86 ADRA2A (0.81) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017291 0.86 ADRA2A (1.00) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017221 0.83 ADRA2A (0.76) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017287 0.81 ADRA2A (0.79) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL13017193 0.81 ADRA2A (0.88) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13062961 0.81 ADRA2A (0.72) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4689733 0.80 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4690804 0.80 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4686622 0.78 ADRA2A (0.82) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13985246 0.77 ADRA2A (0.79) ADRA2AADRA2BADRA2CPTGIRADRA1D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ADRA2A 337/4885ADRA2B 300/4885ADRA2C 301/4885

“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.