SCHEMBL2086433

SCHEMBL2086433

C=CCn1ccnc1C=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.35
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1490959 0.83 ADORA2B (0.33) ADORA2BCYP3A4CYP1A2CYP2D6
SCHEMBL16654939 0.82 FDPS (0.31)
SCHEMBL28148971 0.82 ADORA2B (0.33) ADORA2BCYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9443704 0.82 ADORA2B (0.33) ADORA2BCYP3A4CYP1A2CYP2D6
SCHEMBL16655334 0.80 ALDH1A1 (0.39)
SCHEMBL27268233 0.78
SCHEMBL1206354 0.78
SCHEMBL2503280 0.77 FPR2 (0.39)
SCHEMBL16371569 0.77 ALDH1A1 (0.35) ADORA2BCYP3A4CYP1A2CYP2D6ADORA2A
SCHEMBL1206348 0.74 ALDH1A1 (0.43) ADORA2BPDE4AADORA2APDE4BPDE4C

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951620-A Synthetic method of 1-alkyl-1 H-imidazole-2-formaldehyde UNIV JIANGNAN 2014-07-30 CN claimed
JP-9169739-A None JP disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 US disclosed
US-10172831-B2 Catalytic scavengers of organophosphates to potentiate butyrylcholinesterase (hBChE) as a catalytic bioscavenger and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-08 US disclosed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP disclosed
US-9499529-B2 Therapeutic uses of curcumin analogs for treatment of prostate cancer CALIFORNIA STATE UNIVERSITY, FRESNO (US) 2016-11-22 US disclosed
US-20160256438-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (hBChE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM UNIV CALIFORNIA (US) 2016-09-08 US disclosed
US-7354934-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2006-05-11 US disclosed
EP-1628533-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-03-01 EP disclosed
WO-2004106493-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-12-09 WO disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 EP disclosed
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2004-01-29 US disclosed
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 US disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 WO disclosed
JP-H09169739-A PRODUCTION OF N-ALKYLFORMYLIMIDAZOLES NIPPON SYNTHETIC CHEM IND CO LTD:THE 1997-06-30 JP 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 (7 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-10172831-B2 Catalytic scavengers of organophosphates to potentiate butyrylcholinesterase (hBChE) as a catalytic bioscavenger and methods for making and using them BCHE, ACHE, HMBS ADORA2B 2194/4885CYP3A4 47/4885CYP1A2 195/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 ADORA2B 1287/4885CYP3A4 1878/4885CYP1A2 4205/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 ADORA2B 1287/4885CYP3A4 1878/4885CYP1A2 4205/4885
US-20160256438-A1 CATALYTIC SCAVENGERS OF ORGANOPHOSPHATES TO POTENTIATE BUTYRYLCHOLINESTERASE (hBChE) AS A CATALYTIC BIOSCAVENGER AND METHODS FOR MAKING AND USING THEM BCHE, ACHE, HMBS ADORA2B 2194/4885CYP3A4 47/4885CYP1A2 195/4885
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 ADORA2B 1287/4885CYP3A4 1878/4885CYP1A2 4205/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 ADORA2B 1287/4885CYP3A4 1878/4885CYP1A2 4205/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 ADORA2B 1287/4885CYP3A4 1878/4885CYP1A2 4205/4885

“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.