SCHEMBL3289673

SCHEMBL3289673

N#Cc1cccnc1-c1cnn(Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CREBBP Q92793 6/20 0.45
CNR2 P34972 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
FYN P06241 1/20 0.41
COMT P21964 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10094636 0.81 L3MBTL1 (0.59) L3MBTL1ADORA2AADORA1CREBBPDYRK1B
SCHEMBL30332259 0.80 JAK2 (0.45) CREBBPCNR2
SCHEMBL10094468 0.78 L3MBTL1 (0.55) L3MBTL1ADORA2AADORA1CREBBPDYRK1B
SCHEMBL30332524 0.77 CCNT1 (0.47) CNR2MAPK1
SCHEMBL19065565 0.75 L3MBTL1 (0.58) L3MBTL1ADORA2AADORA1CYP11B1CYP11B2
SCHEMBL1146096 0.75 HDAC1 (0.51) ADORA2AADORA1CNR2MAPK1
SCHEMBL29768457 0.75 HDAC1 (0.51) ADORA2AADORA1CNR2MAPK1
SCHEMBL4289362 0.74 L3MBTL1 (0.57) L3MBTL1CYP11B1CYP11B2CREBBPFFAR4
SCHEMBL4784136 0.74 L3MBTL1 (0.60) L3MBTL1ADORA2AADORA1CREBBPDYRK1B
SCHEMBL2901154 0.74 L3MBTL1 (0.46) L3MBTL1ADORA2AADORA1CREBBPCNR2

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 8 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
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US 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 L3MBTL1 3366/4885ADORA2A 16/4885ADORA1 13/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 L3MBTL1 3366/4885ADORA2A 16/4885ADORA1 13/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 L3MBTL1 3366/4885ADORA2A 16/4885ADORA1 13/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 L3MBTL1 3035/4885ADORA2A 16/4885ADORA1 13/4885

“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.