SCHEMBL3288658

SCHEMBL3288658

Cc1ncccc1Oc1ncccc1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DCPS Q96C86 1/20 0.43
MAP4K4 O95819 1/20 0.42
CARM1 Q86X55 2/20 0.41
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.36
TGFBR1 P36897 1/20 0.36
P2RX7 Q99572 1/20 0.36
GPR119 Q8TDV5 2/20 0.36

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
SCHEMBL3289192 0.82 DPP4 (0.43) MEN1KMT2ACARM1CHRNB2CHRNA4
SCHEMBL6158881 0.82 P2RY1 (0.48) MEN1KMT2ACARM1PRMT6DPP4
SCHEMBL6160772 0.81 CARM1 (0.51) MEN1KMT2ACARM1PRMT6ALDH1A1
SCHEMBL261850 0.78
SCHEMBL6545410 0.78 ADORA2A (0.50) ADORA2AADORA1DCPSMAP4K4CHRNB2
SCHEMBL29587038 0.77 KDM1A (0.46) MEN1KMT2ACHRNB4CHRNA3DPP4
SCHEMBL1265988 0.77 KDM1A (0.46) MEN1KMT2ACHRNB4CHRNA3DPP4
SCHEMBL3291555 0.76 KMT2A (0.52) MEN1KMT2AMAP4K4CARM1PRMT6
Hydrochloric Acid SCHEMBL5010799 0.76 DPP4 (0.44) KMT2ADCPSDPP4P2RX7CYP2C9
SCHEMBL3290447 0.76 ALDH1A1 (0.53) MEN1KMT2ADPP4ALDH1A1SLC6A2

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 ADORA2A 16/4885ADORA1 13/4885MEN1 3637/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ADORA2A 16/4885ADORA1 13/4885MEN1 3637/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ADORA2A 16/4885ADORA1 13/4885MEN1 3637/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ADORA2A 16/4885ADORA1 13/4885MEN1 3688/4885

“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.