SCHEMBL1371003

SCHEMBL1371003

CCc1cc[c]c(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
BCL2 P10415 1/20 0.38
NOTUM Q6P988 1/20 0.37
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KLF5 Q13887 1/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.34
KIF11 P52732 2/20 0.33
IDO1 P14902 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL6778363 0.87 NOTUM (0.46) TP53CYP1A2CYP2A6BCL2NOTUM
SCHEMBL8088676 0.86 NOTUM (0.39) TP53CYP1A2CYP2A6NOTUMNPC1
SCHEMBL1370523 0.85 CNR1 (0.35) TP53NPC1KDM4EPKMMAPT
SCHEMBL15067982 0.83 TRPA1 (0.39) TP53CYP1A2CYP2A6NOTUMNPC1
SCHEMBL5320671 0.83 HSD17B10 (0.33) TP53CYP1A2CYP2A6BCL2NOTUM
SCHEMBL8093380 0.82 TP53 (0.38) TP53BCL2NOTUMPKMMAPT
SCHEMBL1368971 0.82 HSD11B1 (0.46) NPC1RAB9AMAPK1
SCHEMBL4463655 0.81 MAPT (0.32) TP53CYP1A2NPC1KDM4EMAPT
SCHEMBL5496841 0.81 TSHR (0.43) NOTUM
SCHEMBL716056 0.81 TP53 (0.38) TP53CYP1A2CYP2A6BCL2NOTUM

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 27 patents — showing the first 20. 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
EP-2778160-B1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME AS CONSTITUENT COMPONENT TOSOH CORP (JP) 2018-01-10 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-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
WO-2013035650-A1 METHOD FOR PRODUCING ALPHA - HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-14 WO 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
US-20110288295-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2011-11-24 US disclosed
EP-2361909-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Tosoh Corporation (JP) 2011-08-31 EP disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 US disclosed
EP-2351750-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2011-08-03 EP disclosed
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
US-6121273-A ISOMERASE INHIBITORS EFFECTIVE AGAINST NEUROLOGICAL DISORDERS, I.E. PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS; SIDE EFFECT REDUCTION GPI NIL HOLDINGS, INC (US) 2000-09-19 US disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO 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 (5 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-20110288295-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME VDAC1, MT-ND5, TRPC5 TP53 3526/4885CYP1A2 259/4885CYP2A6 2901/4885
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 TP53 4476/4885CYP1A2 74/4885CYP2A6 1219/4885
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT ASH2L, SETDB1, KAT5 TP53 3364/4885CYP1A2 466/4885CYP2A6 3395/4885
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 TP53 3452/4885CYP1A2 1801/4885CYP2A6 3586/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 TP53 3452/4885CYP1A2 1801/4885CYP2A6 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.