SCHEMBL411914

SCHEMBL411914

CCOP(=O)(OCC)c1ccnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CYP2C9 P11712 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
CYP2C18 P33260 4/20 0.38
CYP2C8 P10632 3/20 0.38
ADRA2A P08913 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ADORA2B P29275 1/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL407721 0.82 ALDH1A1 (0.38) CYP2C9NPSR1GAAMEN1KMT2A
SCHEMBL5119265 0.71 ALOX12 (0.44) POLBCYP2C9NPSR1GAAMEN1
SCHEMBL13495221 0.69 POLB (0.47) POLBCYP2C9NPSR1GAACYP2C19
SCHEMBL358474 0.67 MEN1 (0.59) POLBNPSR1MEN1KMT2AKCNH2
SCHEMBL9681622 0.67 ALDH1A1 (0.57) CYP2C9GAAKMT2ACYP2C19ALDH1A1
SCHEMBL1906019 0.66 POLB (0.52) POLBCYP2C9NPSR1GAACYP2C19
SCHEMBL30785500 0.66 ALDH1A1 (0.48) POLBCYP2C9NPSR1GAACYP2C19
SCHEMBL9833146 0.66 ALDH1A1 (0.49) POLBGAAMEN1KMT2AALDH1A1
SCHEMBL15200362 0.66 POLB (0.43) POLBCYP2C9NPSR1GAACYP2C19
SCHEMBL18486629 0.65 MEN1 (0.61) POLBNPSR1GAAMEN1KMT2A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-2593226-B1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE IRELAND UNLIMITED CO (IE) 2018-11-14 EP disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
US-9381508-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-07-05 US disclosed
US-9381508-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-07-05 US disclosed
US-20140371446-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2014-12-18 US disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 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-20140371446-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA POLB 498/4885CYP2C9 1453/4885NPSR1 1921/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885CYP2C9 2531/4885NPSR1 2857/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885CYP2C9 2531/4885NPSR1 2857/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA POLB 498/4885CYP2C9 1453/4885NPSR1 1921/4885

“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.