SCHEMBL3587231

SCHEMBL3587231

COCc1cc(Br)cc(COC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
MAOB P27338 3/20 0.36
AGXT P21549 2/20 0.35
TACR1 P25103 3/20 0.35
HPGD P15428 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCA P17252 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
PRKCE Q02156 1/20 0.31
MYLK Q15746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL4801258 0.95 IDO1 (0.56) IDO1MAOBAGXTTACR1HPGD
SCHEMBL16951081 0.86 TACR1 (0.49) IDO1MAOBAGXTTACR1MEN1
SCHEMBL3624689 0.86 PRKCE (0.37) IDO1MEN1MAPTKMT2AALDH1A1
SCHEMBL31242320 0.84 IDO1 (0.43) IDO1MAOBAGXTTACR1PTPN1
SCHEMBL9948432 0.84 IDO1 (0.43) IDO1MAOBAGXTTACR1PTPN1
SCHEMBL14861048 0.84 IDO1 (0.48) IDO1MAOBAGXTTACR1MEN1
SCHEMBL2016467 0.84 IDO1 (0.47) IDO1MAOBAGXTTACR1MAPT
SCHEMBL31500478 0.84 IDO1 (0.47) IDO1MAOBAGXTTACR1MAPT
SCHEMBL24156635 0.81 IDO1 (0.39) IDO1MAOB
SCHEMBL16705225 0.81 IDO1 (0.39) IDO1MAOBHPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732549-B2 Multi-branched polymer NIPPON SODA CO., LTD. (JP) 2010-06-08 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 EP disclosed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 US disclosed
EP-1688440-A1 NOVEL HYPERBRANCHED POLYMER NIPPON SODA CO., LTD. (JP) 2006-08-09 EP disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 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 (1 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 IDO1 1160/4885MAOB 313/4885AGXT 3582/4885

“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.