SCHEMBL9958037

SCHEMBL9958037

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.52
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2E1 P05181 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP11B1 P15538 2/20 0.43
TDO2 P48775 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL9958408 0.95 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28594337 0.95 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL16720501 0.85 CYP2A6 (0.48) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL9957019 0.84 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL9957277 0.84 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL1691864 0.84 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL7953808 0.84 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL15949704 0.84 CYP2A6 (0.51) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28038294 0.84 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28481633 0.83 CYP2A6 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102272262-B Novel compound for organic photoelectric device and organic photoelectric device comprising same CHEIL IND INC 2014-09-10 CN 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 3586/4885CYP3A4 2522/4885ALDH1A1 267/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885CYP3A4 2522/4885ALDH1A1 267/4885

“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.