SCHEMBL3294343

SCHEMBL3294343

Cc1c(CN)cccc1Oc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.51
KDM4E B2RXH2 2/20 0.49
SLC1A5 Q15758 1/20 0.43
KEAP1 Q14145 1/20 0.42
P2RX7 Q99572 2/20 0.40
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
P2RX4 Q99571 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
DPP4 P27487 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8287033 0.85 KDM4E (0.51) CD274KDM4ESLC1A5P2RX7HTR1A
SCHEMBL3291328 0.85 KDM4E (0.49) CD274KDM4ESLC1A5KEAP1P2RX7
Hydrochloric Acid SCHEMBL3291564 0.84 KDM4E (0.50) CD274KDM4ESLC1A5P2RX7HTR1A
SCHEMBL27797567 0.79 KEAP1 (0.59) CD274KDM4EKEAP1P2RX7L3MBTL1
SCHEMBL29733596 0.76 KDM4E (0.53) CD274KDM4ESLC1A5KEAP1P2RX7
SCHEMBL22807516 0.76 KDM4E (0.53) CD274KDM4ESLC1A5KEAP1P2RX7
SCHEMBL5023935 0.76 KDM4E (0.51) KDM4ESLC1A5P2RX7L3MBTL1PDE4A
SCHEMBL3292437 0.75 CD274 (0.47) CD274KDM4ESLC1A5L3MBTL1P2RX4
SCHEMBL3291529 0.75 CD274 (0.45) CD274KDM4ESLC1A5L3MBTL1LOXL2
SCHEMBL11138427 0.74 KDM4E (0.66) KDM4ESLC1A5L3MBTL1PDE4APDE4B

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 CD274 3666/4885KDM4E 3458/4885SLC1A5 63/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CD274 3666/4885KDM4E 3458/4885SLC1A5 63/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CD274 3666/4885KDM4E 3458/4885SLC1A5 63/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CD274 3707/4885KDM4E 3452/4885SLC1A5 64/4885

“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.