SCHEMBL13017291

SCHEMBL13017291

c1cc(NC2=NCCN2)ccc1Cc1ccc(NC2=NCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 17/20 1.00
▸ ADRA2B P18089 16/20 1.00
▸ ADRA2C P18825 16/20 1.00
▸ PTGIR P43119 2/20 0.78
▸ GPR65 Q8IYL9 1/20 0.72

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
SCHEMBL13017193 0.94 ADRA2A (0.88) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4689733 0.92 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4690804 0.92 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4686622 0.91 ADRA2A (0.82) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017196 0.89 ADRA2A (0.81) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL23761141 0.88 ADRA2A (0.78) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4686704 0.88 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4692792 0.88 ADRA2A (0.78) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4690795 0.87 ADRA2A (0.76) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017221 0.86 ADRA2A (0.76) ADRA2AADRA2BADRA2CPTGIRGPR65

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.

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