SCHEMBL16536029

SCHEMBL16536029

Brc1ccc2ccc3[nH]c4ccccc4c3c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.66
CCND1 P24385 7/20 0.66
CCNB2 O95067 2/20 0.52
CCNE2 O96020 2/20 0.52
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51

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
SCHEMBL10044741 0.90 CDK4 (0.53) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17023957 0.89 CDK4 (0.54) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17023948 0.89 CDK4 (0.54) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL22011591 0.88 CDK4 (0.55) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16536115 0.88 CDK4 (0.55) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17841968 0.85 CDK4 (0.49) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL30221171 0.85 CDK4 (0.51) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL30849130 0.85 CDK4 (0.51) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL31622 0.85 CDK4 (0.51) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL12219444 0.83 CDK4 (0.71) CDK4CCND1GABRPGABRDGABRA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208271-B1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2021-07-21 EP disclosed
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2018-07-31 US disclosed
WO-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 US disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 US disclosed
EP-3208271-A2 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG Chem, Ltd. (KR) 2017-08-23 EP disclosed
WO-2017048025-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2017-03-23 WO disclosed
WO-2016060404-A9 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME 주식회사 엘지화학 2016-11-03 WO disclosed
WO-2016060404-A2 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME 주식회사 엘지화학 2016-04-21 WO disclosed
US-20150060833-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-03-05 US disclosed
US-20150060833-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-03-05 US 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-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) PER2, CRY1, CRY2 CDK4 451/4885CCND1 452/4885CCNB2 407/4885
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same NPM1, PER2, CRY1 CDK4 232/4885CCND1 192/4885CCNB2 246/4885

“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.