SCHEMBL13017221

SCHEMBL13017221

CCc1ccc(NC2=NCCN2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.76
ADRA2B P18089 14/20 0.76
ADRA2C P18825 14/20 0.76
PTGIR P43119 5/20 0.65
GPR65 Q8IYL9 1/20 0.60

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
Hydrochloric Acid SCHEMBL4686622 0.94 ADRA2A (0.82) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13062961 0.87 ADRA2A (0.72) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017291 0.86 ADRA2A (1.00) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017196 0.86 ADRA2A (0.81) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5658627 0.83 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5024006 0.83 ADRA2A (0.76) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13293408 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4743095 0.83 ADRA2A (0.66) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4692792 0.82 ADRA2A (0.78) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL14367989 0.81 NISCH (0.58) ADRA2AADRA2BADRA2CPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 US disclosed
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 US disclosed
WO-2009080818-A2 GUANIDINE BASED COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2009-07-02 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-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 6/4885ADRA2C 3/4885

“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.