SCHEMBL3289733

SCHEMBL3289733

OCc1scnc1-c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
HTR5A P47898 1/20 0.36
CYP2A6 P11509 5/20 0.35
CYP2B6 P20813 3/20 0.35
CYP2E1 P05181 2/20 0.35
FYN P06241 1/20 0.35
GAK O14976 1/20 0.35
CDK5 Q00535 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CDK5R1 Q15078 1/20 0.34
IDO1 P14902 1/20 0.34
CHEK1 O14757 1/20 0.34
CHEK2 O96017 1/20 0.34
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
TDO2 P48775 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL3288572 0.83 ADORA2A (0.37) CYP2A6CYP2B6CYP2E1CDK5ADORA2A
SCHEMBL12892793 0.74 CYP2A6 (0.39) CYP2A6CYP2B6CYP2E1CDK5ADORA2A
SCHEMBL3287314 0.74 FFAR4 (0.45) CYP2C9CYP2C19
SCHEMBL3288247 0.74 PTGS1 (0.39) FYNADORA1MAP4K4AURKB
SCHEMBL16815370 0.64 FYN (0.36) HTR1DHTR2BHTR3AHTR5ACYP2A6
SCHEMBL27700228 0.63 CDC7 (0.50) HTR1DHTR2BHTR3AHTR5ACYP2A6
SCHEMBL17027255 0.63 IKBKB (0.42) ADORA2AADORA1CHEK1CHEK2DYRK1A
SCHEMBL28327745 0.63 FYN (0.41) HTR1DHTR2BHTR3AHTR5AFYN
SCHEMBL9454390 0.62 SLC5A2 (0.45) HTR1DHTR2BHTR3AHTR5ACYP2A6
SCHEMBL4136936 0.62 NOTUM (0.62) HTR1DHTR2BHTR3AHTR5ACYP2A6

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 HTR1D 504/4885HTR2B 325/4885HTR3A 311/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 HTR1D 504/4885HTR2B 325/4885HTR3A 311/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 HTR1D 504/4885HTR2B 325/4885HTR3A 311/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 HTR1D 579/4885HTR2B 339/4885HTR3A 345/4885

“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.