SCHEMBL13017285

SCHEMBL13017285

COc1ccc(NC2=NCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 1.00
ADRA2B P18089 8/20 1.00
ADRA2C P18825 8/20 1.00
PTGIR P43119 12/20 0.91

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
SCHEMBL5805033 0.95 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5803970 0.95 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5802923 0.91 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL4686704 0.91 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5807438 0.91 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR
Hydrochloric Acid SCHEMBL5806185 0.90 PTGIR (0.97) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5805340 0.89 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5802793 0.83 PTGIR (1.00) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL6158355 0.83 PTGIR (0.74) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5659732 0.83 PTGIR (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12594261-B2 Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases SHANGHAI EAST HOSPITAL (EAST HOSPITAL, TONGJI UNIVERSITY SCHOOL OF MEDICINE) (CN) 2026-04-07 US claimed
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 (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-12594261-B2 Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases TNNT2, TNNI3, CCNO ADRA2A 317/4885ADRA2B 191/4885ADRA2C 148/4885
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.