SCHEMBL3237463

SCHEMBL3237463

N#Cc1cccnc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.56
CNR2 P34972 2/20 0.54
CYP11B2 P19099 3/20 0.51
ADORA2A P29274 3/20 0.49
ADORA1 P30542 3/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA2B P29275 1/20 0.46
CNR1 P21554 1/20 0.44
CYP11B1 P15538 2/20 0.44
CYP17A1 P05093 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
CLK1 P49759 1/20 0.43
NPY5R Q15761 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL30332369 1.00 CYP2A6 (0.56) CYP2A6CNR2CYP11B2ADORA2AADORA1
Hydrochloric Acid SCHEMBL4596482 0.98 CYP2A6 (0.54) CYP2A6CNR2CYP11B2ADORA2AADORA1
SCHEMBL1146096 0.83 HDAC1 (0.51) CNR2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL29768457 0.83 HDAC1 (0.51) CNR2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL3288734 0.81 CNR2 (0.49) CNR2CYP11B2ADORA2AADORA1ALDH1A1
SCHEMBL5826057 0.81 HDAC1 (0.50) CNR2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL31267979 0.80 CNR2 (0.49) CNR2CYP11B2ALDH1A1CYP1A2CYP3A4
SCHEMBL10000582 0.79 CYP2A6 (0.49) CYP2A6CNR2CYP11B2CYP1A2CNR1
SCHEMBL17116598 0.79 CNR2 (0.47) CNR2CYP11B2ALDH1A1CYP11B1KDM4E
SCHEMBL3292911 0.78 CNR2 (0.57) CYP2A6CNR2CYP11B2CYP11B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 US disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
EP-2201011-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Choongwae Pharma Corporation (KR) 2010-06-30 EP disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
WO-2010027114-A1 USE OF PYRAZOLE-PYRIDINE DERIVATIVES AND ITS SALTS FOR TREATING OR REVENTIN OSTEOPOROSIS CHOONGWAE PHARMA CORPORATION (KR) 2010-03-11 WO disclosed
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 WO disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 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 (5 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-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME ODC1, AOC1, ADH1C CYP2A6 1992/4885CNR2 3616/4885CYP11B2 887/4885
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 CYP2A6 1918/4885CNR2 97/4885CYP11B2 678/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CYP2A6 1918/4885CNR2 97/4885CYP11B2 678/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CYP2A6 1918/4885CNR2 97/4885CYP11B2 678/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CYP2A6 1828/4885CNR2 112/4885CYP11B2 704/4885

“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.