SCHEMBL9958220

SCHEMBL9958220

[c]1ccc(-c2ccccc2-c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
CYP2A6 P11509 8/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
CYP11B1 P15538 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 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
KCNA5 P22460 2/20 0.45

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
SCHEMBL4621666 0.86 CYP2A6 (0.64) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL31017586 0.86 CYP2A6 (0.64) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL30026143 0.85 CYP2A6 (0.70) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL20541087 0.85 CYP2A6 (0.70) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL28594337 0.84 CYP2A6 (0.47) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL9958408 0.84 CYP2A6 (0.47) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL38501 0.84 CYP2A6 (0.68) CYP2A6ALDH1A1CYP3A4CYP1A2MAPT
SCHEMBL21110859 0.83 CYP2A6 (0.67) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL12853987 0.83 CYP2A6 (0.67) PTGS2CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL9958009 0.82 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2MAPT

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 9 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
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 PTGS2 3903/4885CYP2A6 3586/4885ALDH1A1 267/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 PTGS2 3903/4885CYP2A6 3586/4885ALDH1A1 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.