SCHEMBL5612692

SCHEMBL5612692

c1ccc(COc2ccccc2-c2c[nH]nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.56
IDO1 P14902 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
PDE5A O76074 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PTGER1 P34995 3/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
TLR4 O00206 1/20 0.43
TLR3 O15455 1/20 0.43
TLR5 O60602 1/20 0.43

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
SCHEMBL22931826 0.80 PTGER1 (0.41) BRD4IDO1PTGER1MAPTMAPK1
SCHEMBL1948178 0.78 BRD4 (0.56) BRD4IDO1CNR1CNR2PDE5A
SCHEMBL26013299 0.77 MAPT (0.63) BRD4IDO1PTGER1MAPTMAPK1
SCHEMBL28129013 0.76 BRD4 (0.54) BRD4IDO1CNR1CNR2PDE5A
SCHEMBL28284772 0.76 ADRA1D (0.58) BRD4IDO1CNR1CNR2PDE5A
SCHEMBL6166807 0.76 BRD4 (0.42) BRD4LTA4HHTR1A
SCHEMBL2197897 0.75 ALDH1A1 (0.38) IDO1MAPTMAPK1TDP1L3MBTL1
SCHEMBL1186713 0.75 RAB9A (0.58) MAPTL3MBTL1
SCHEMBL5612883 0.75 METAP2 (0.53) CNR2MAPTL3MBTL1
SCHEMBL6960842 0.74 BRD4 (0.51) BRD4IDO1CNR1CNR2PDE5A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 US disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 EP disclosed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP BRD4 2058/4885IDO1 300/4885CNR1 3674/4885
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP BRD4 931/4885IDO1 194/4885CNR1 4560/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP BRD4 1152/4885IDO1 530/4885CNR1 4364/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP BRD4 2010/4885IDO1 316/4885CNR1 3833/4885

“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.