SCHEMBL9958196

SCHEMBL9958196

[c]1cc2cc(-c3ccccc3)ccc2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
NPC1 O15118 1/20 0.38
DHFR P00374 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
BACE1 P56817 1/20 0.36
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL9958428 0.87 ESR1 (0.39) ESR1ESR2NPC1DHFRBACE1
SCHEMBL18317761 0.87 DHFR (0.40) ESR1ESR2DHFRGRIN2DGRIN2A
SCHEMBL18317453 0.84 ESR1 (0.35) ESR1ESR2NPC1DHFRGPR84
SCHEMBL18317230 0.81 ESR1 (0.43) ESR1ESR2NPC1DHFRGRIN2D
SCHEMBL18317758 0.78 NQO2 (0.42) CYP1A2ALDH1A1
SCHEMBL2387979 0.78 CYP1A2 (0.42) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25131 0.78 ALDH1A1 (0.46) CYP1A2CYP3A4ALDH1A1
SCHEMBL2452867 0.76 ALDH1A1 (0.61) CYP1A2ALDH1A1
SCHEMBL2724557 0.75 ESR1 (0.58) ESR1ESR2NPC1DHFRBACE1
SCHEMBL1987912 0.75 ESR1 (0.58) ESR1ESR2NPC1DHFRBACE1

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 14 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-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
EP-2818462-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMISCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2017-11-08 EP disclosed
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US 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
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 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
EP-2468731-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2014-11-05 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 (3 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 ESR1 244/4885ESR2 415/4885NPC1 2628/4885
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 ESR1 68/4885ESR2 251/4885NPC1 3259/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 ESR1 68/4885ESR2 251/4885NPC1 3259/4885

“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.