SCHEMBL3288247

SCHEMBL3288247

OCc1scnc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
CSNK1D P48730 2/20 0.39
CSNK1E P49674 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAPK9 P45984 2/20 0.38
MAP4K4 O95819 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
ADORA1 P30542 1/20 0.37
PTGDR2 Q9Y5Y4 7/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
FYN P06241 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL3287071 0.82 DPP4 (0.42) ADORA1PTGDR2MAPK14MAPK13MAPK12
SCHEMBL28324954 0.82 ADORA1 (0.34) CSNK1DMAPK9MAP4K4CSNK1A1CDC42BPA
SCHEMBL27574750 0.82 IDO1 (0.38) CSNK1DMAPK9MAP4K4CSNK1A1CDC42BPA
SCHEMBL3287314 0.82 FFAR4 (0.45) PTGDR2KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6889474 0.78 ALDH1A1 (0.46) CSNK1DCSNK1EMAPK9MAP4K4CSNK1A1
SCHEMBL3289733 0.74 HTR1D (0.36) MAP4K4AURKBADORA1FYN
SCHEMBL28312818 0.73 ADORA1 (0.49) MAPK9ADORA1MAPK14MAPK13RAF1
SCHEMBL14304002 0.72 PTGS2 (0.40) PTGS1ADORA1MAPK14MAPK13MAPK12
SCHEMBL3294778 0.71 NPC1 (0.36) PDE10APTGDR2MAPK14MAPK13MAPK12
SCHEMBL24508647 0.70 KDM4E (0.46) PTGDR2MAPK14KDM4ELMNAPKM

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 PTGS1 1766/4885CSNK1D 841/4885CSNK1E 1142/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 PTGS1 1766/4885CSNK1D 841/4885CSNK1E 1142/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 PTGS1 1766/4885CSNK1D 841/4885CSNK1E 1142/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 PTGS1 1811/4885CSNK1D 901/4885CSNK1E 1153/4885

“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.