SCHEMBL9958663

SCHEMBL9958663

[c]1cccc(-c2cccc(-c3cccnc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MEN1 O00255 1/20 0.53
PSIP1 O75475 1/20 0.53
AXL P30530 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
EPHX2 P34913 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
KMO O15229 1/20 0.47
CYP11B2 P19099 8/20 0.47
CYP11B1 P15538 7/20 0.47
CYP17A1 P05093 3/20 0.47
CYP19A1 P11511 3/20 0.47
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PGR P06401 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL296179 0.93 CYP2A6 (0.62) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL9958115 0.89 CYP2A6 (0.58) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL28029987 0.83 CYP19A1 (0.47) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL7953768 0.83 CYP2A6 (0.65) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL17951830 0.82 CYP2A6 (0.79) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL17200836 0.82 MEN1 (0.39) CYP2A6CYP1A2CYP3A4MEN1KMO
SCHEMBL12103445 0.82 CYP2A6 (0.79) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL30620885 0.82 CYP2A6 (0.79) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL17200853 0.82 MEN1 (0.39) CYP2A6CYP1A2CYP3A4MEN1KMO
SCHEMBL28596821 0.82 PGR (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9252368-B2 Cyclic azine compound having nitrogen-containing condensed aromatic group, method for producing same, and organic electroluminescent device comprising same as constituent component TOSOH CORPORATION (JP) 2016-02-02 US claimed
US-20140330013-A1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2014-11-06 US claimed
EP-2778160-A1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2014-09-17 EP claimed
WO-2020184379-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT 保土谷化学工業株式会社 2020-09-17 WO disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-9252368-B2 Cyclic azine compound having nitrogen-containing condensed aromatic group, method for producing same, and organic electroluminescent device comprising same as constituent component TOSOH CORPORATION (JP) 2016-02-02 US disclosed
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORPORATION (JP) 2015-11-19 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
EP-2818462-A1 Cyclic azine derivatives, processes for producing these, and organic electrolumiscent element containing these as component TOSOH CORPORATION (JP) 2014-12-31 EP disclosed
US-20140330013-A1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2014-11-06 US disclosed
EP-2778160-A1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2014-09-17 EP disclosed
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE, (JP) 2012-08-23 US disclosed
EP-2468731-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT Tosoh Corporation (JP) 2012-06-27 EP 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 (2 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-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885ALDH1A1 267/4885CYP1A2 1801/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885ALDH1A1 267/4885CYP1A2 1801/4885

“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.