SCHEMBL31622

SCHEMBL31622

Brc1ccc2c(c1)[nH]c1ccc3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.51
CCND1 P24385 10/20 0.51
CCNB2 O95067 3/20 0.48
CCNE2 O96020 3/20 0.48
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 0.48
CCNB3 Q8WWL7 3/20 0.48
CAMK2B Q13554 2/20 0.48
CAMK2G Q13555 2/20 0.48
CAMK2D Q13557 2/20 0.48
CAMK2A Q9UQM7 2/20 0.48
CCNT1 O60563 1/20 0.48
EIF2AK2 P19525 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CYP2A6 P11509 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
SCHEMBL30221171 1.00 CDK4 (0.51) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL30849130 1.00 CDK4 (0.51) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL10044741 0.88 CDK4 (0.53) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL15848788 0.87 CDK4 (0.46) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16536115 0.87 CDK4 (0.55) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16536029 0.85 CDK4 (0.66) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL2627633 0.84 CDK4 (0.52) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17841968 0.84 CDK4 (0.49) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL13828829 0.83 CDK4 (0.59) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL12219467 0.82 CDK4 (0.56) CDK4CCND1CCNB2CCNE2CDK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110024155-B Organic light emitting device 株式会社LG化学 2023-07-04 CN disclosed
WO-2021135181-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
WO-2019198934-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2019-10-17 WO disclosed
EP-3553050-A1 COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2019-10-16 EP disclosed
US-9951270-B2 Multicyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
WO-2018070835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-04-19 WO disclosed
WO-2018070835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-04-19 WO disclosed
WO-2017123008-A1 ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DISPLAY DEVICE, AND COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE 덕산네오룩스 주식회사 2017-07-20 WO disclosed
US-9691990-B2 Compound, organic electronic element using same, and electronic device using the latter DUK SAN NEOLUX CO., LTD. (KR) 2017-06-27 US disclosed
US-20170062728-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-02 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160126473-A1 MULTICYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2016-05-05 US disclosed
WO-2015130069-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-09-03 WO disclosed
WO-2015126090-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-08-27 WO disclosed
WO-2015111888-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-07-30 WO disclosed
WO-2015099486-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-07-02 WO disclosed
WO-2014077558-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE FOR SAME 덕산하이메탈(주) (KR) 2014-05-22 WO disclosed
US-20140027747-A1 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING THE LATTER DUKSAN HIGH METAL CO., LTD. (KR) 2014-01-30 US disclosed
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 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 (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-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 CDK4 1245/4885CCND1 1191/4885CCNB2 1669/4885
US-20170062728-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, PIEZO1 CDK4 1735/4885CCND1 650/4885CCNB2 940/4885
US-20160126473-A1 MULTICYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME BMI1, ODC1, OR10J3 CDK4 988/4885CCND1 1391/4885CCNB2 1026/4885

“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.