SCHEMBL9958408

SCHEMBL9958408

[c]1ccc(-c2ccccc2)c(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS2 P35354 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
CYP11B1 P15538 2/20 0.44
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CYP19A1 P11511 1/20 0.42
KCNA5 P22460 2/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL28594337 1.00 CYP2A6 (0.47) CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2
SCHEMBL9958037 0.95 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2
SCHEMBL9958265 0.84 NOTUM (0.52) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL9958220 0.84 PTGS2 (0.54) CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2
SCHEMBL9957984 0.84 NOTUM (0.52) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL618853 0.83 BACE1 (0.39) CYP2A6ALDH1A1PTGS2HPGDALOX15
SCHEMBL9957019 0.83 CYP2A6 (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2POLB
SCHEMBL9957277 0.83 CYP2A6 (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2
SCHEMBL4621666 0.81 CYP2A6 (0.64) CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2
SCHEMBL31017586 0.81 CYP2A6 (0.64) CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2

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
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-104868057-B Organic light emitting apparatus 三星显示有限公司 2018-06-08 CN 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
CN-102574813-B Cyclic azine derivatives, process for producing the same, and organic electroluminescent element containing the same as constituent TOSOH CORP. (JP) 2016-03-30 CN 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-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
CN-102574813-A Cyclic azine derivatives, process for producing the same, and organic electroluminescent element containing the same as constituent TOSOH CORP 2012-07-11 CN 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 267/4885CYP3A4 2522/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885ALDH1A1 267/4885CYP3A4 2522/4885

“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.