SCHEMBL3296198

SCHEMBL3296198

N#Cc1cccnc1-c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.45
ADORA1 P30542 3/20 0.43
CYP11B2 P19099 2/20 0.43
ADORA2A P29274 2/20 0.43
CYP11B1 P15538 1/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA1 P14867 2/20 0.42
GABRA2 P47869 1/20 0.42
HDAC1 Q13547 1/20 0.41
ADORA2B P29275 2/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
BCAT1 P54687 1/20 0.39
TGFBR1 P36897 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL3292813 0.87 BCAT1 (0.50) CYP11B2ADORA2ACYP11B1GABRG2GABRB3
SCHEMBL3288797 0.82 GABRG2 (0.47) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL3291131 0.82 ADORA1 (0.46) ADORA1CYP11B2ADORA2AGABRG2GABRB3
SCHEMBL30709648 0.80 ADORA2A (0.46) CYP11B2ADORA2ACYP11B1GABRG2GABRB3
SCHEMBL26185770 0.80 ADORA2A (0.46) CYP11B2ADORA2ACYP11B1GABRG2GABRB3
SCHEMBL2649411 0.80 GABRG2 (0.45) CHUKCYP11B2ADORA2AGABRG2GABRB3
SCHEMBL2650903 0.80 GABRG2 (0.47) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL3291080 0.79 DPP4 (0.53) CYP11B2ADORA2ACYP11B1CNR2KDM4E
SCHEMBL10000551 0.79 TSHR (0.52) ADORA1CYP11B2ADORA2AHDAC1CNR2
SCHEMBL31267979 0.79 CNR2 (0.49) CYP11B2HDAC1CNR2KDM4ENPC1

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 CHUK 1305/4885ADORA1 13/4885CYP11B2 678/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CHUK 1305/4885ADORA1 13/4885CYP11B2 678/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CHUK 1305/4885ADORA1 13/4885CYP11B2 678/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CHUK 1315/4885ADORA1 13/4885CYP11B2 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.