SCHEMBL9958202

SCHEMBL9958202

[c]1cccc(-c2cccc(-c3ccccn3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
CYP2A6 P11509 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 3/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 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
SCHEMBL16026492 0.92 CYP2A6 (0.44) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL295926 0.88 KDM4E (0.50) CYP2A6HTR1AHTR7KDM4ELMNA
SCHEMBL9958574 0.86 CYP2A6 (0.46) TLR4TLR2CYP2A6KDM4ELMNA
SCHEMBL21506994 0.84 KDM4E (0.59) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL28591066 0.83 CYP2A6 (0.36) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL9958087 0.83 CYP2A6 (0.46) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL11910168 0.82 KDM4E (0.56) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL28645180 0.82 KDM4E (0.56) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL21173056 0.82 KDM4E (0.56) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL502867 0.82 KDM4E (0.62) TLR4TLR2CYP2A6HTR1AHTR7

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 12 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
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 TLR4 4743/4885TLR2 4501/4885CYP2A6 3586/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 TLR4 4743/4885TLR2 4501/4885CYP2A6 3586/4885

“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.