SCHEMBL9958676

SCHEMBL9958676

[c]1ccc(-c2ccccc2)cc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
CYP2A6 P11509 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 2/20 0.46
CYP17A1 P05093 1/20 0.46
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
MEN1 O00255 1/20 0.43
PSIP1 O75475 1/20 0.43
AXL P30530 1/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMO O15229 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
SCHEMBL9958246 0.93 CYP2A6 (0.52) CYP19A1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL3299454 0.85 CYP2A6 (0.47) CYP19A1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL9958975 0.82 NOTUM (0.56) MKNK1KDRKDM4EHSD17B10NPC1
SCHEMBL28581879 0.82 NOTUM (0.56) MKNK1KDRKDM4EHSD17B10NPC1
SCHEMBL1451004 0.81 ALDH1A1 (0.43) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL6104498 0.79 CYP2A6 (0.47) CYP19A1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL11358625 0.79 CYP2A6 (0.51) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL10852859 0.79 CYP2A6 (0.47) CYP19A1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL8938017 0.79 ALOX5 (0.41) ALDH1A1CYP3A4CYP1A2MEN1KDM4E
SCHEMBL15067523 0.79 ALDH1A1 (0.45) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1

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
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
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 CYP19A1 769/4885CYP2A6 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 CYP19A1 769/4885CYP2A6 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.