SCHEMBL3288656

SCHEMBL3288656

N#Cc1cccnc1-c1cn[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
KCNH2 Q12809 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
LRRK2 Q5S007 1/20 0.41
PIM1 P11309 2/20 0.40
KDM5A P29375 1/20 0.40
HDAC1 Q13547 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
METAP2 P50579 2/20 0.39
GRM4 Q14833 1/20 0.39
TNF P01375 1/20 0.36
TRPA1 O75762 1/20 0.35
PIK3CD O00329 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
KCNMA1 Q12791 1/20 0.35

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
SCHEMBL31267979 0.76 CNR2 (0.49) CNR2KCNH2LRRK2HDAC1TRPV1
SCHEMBL1146096 0.75 HDAC1 (0.51) CNR2LRRK2HDAC1TRPV1
SCHEMBL29768457 0.75 HDAC1 (0.51) CNR2LRRK2HDAC1TRPV1
SCHEMBL29590331 0.75 AKT2 (0.46) CNR2KCNH2AKT1AKT2PIM1
SCHEMBL15308510 0.75 CYP2A6 (0.56) CNR2KCNH2AKT1AKT2LRRK2
SCHEMBL23291933 0.75 ALDH1A1 (0.51) KCNH2AKT1AKT2PIM1METAP2
SCHEMBL30557225 0.75 ALDH1A1 (0.51) KCNH2AKT1AKT2PIM1METAP2
SCHEMBL23629055 0.75 TRPA1 (0.55) AKT1AKT2KDM5ATRPA1
SCHEMBL30332369 0.75 CYP2A6 (0.56) CNR2
SCHEMBL27090965 0.75 AKT2 (0.46) CNR2KCNH2AKT1AKT2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (4 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 CNR2 97/4885KCNH2 333/4885AKT1 2713/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CNR2 97/4885KCNH2 333/4885AKT1 2713/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CNR2 97/4885KCNH2 333/4885AKT1 2713/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CNR2 112/4885KCNH2 281/4885AKT1 2913/4885

“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.