SCHEMBL9920547

SCHEMBL9920547

c1ccc(-c2nc3ccccc3n2-c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.50
ESR1 P03372 2/20 0.50
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PTGS2 P35354 1/20 0.38
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
PDE6D O43924 1/20 0.35
ALDH2 P05091 1/20 0.35

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
SCHEMBL822873 0.91 ESR2 (0.59) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL822881 0.85 ESR2 (0.53) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9920567 0.80 IL1R1 (0.34) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL9920566 0.79 KDM4E (0.41) KDM4E
SCHEMBL9920525 0.79 KDM4E (0.41) KDM4E
SCHEMBL9920568 0.79 MAPT (0.33) MEN1KMT2AGAAMAPK1HTT
SCHEMBL10144775 0.78 HPGDS (0.33) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL822782 0.78 ESR2 (0.45) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL13703275 0.77 ESR2 (0.61) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17380905 0.76 ESR2 (0.64) ESR2ESR1GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-20170025626-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2017-01-26 US disclosed
US-9487548-B2 Metal complexes comprising diazabenzimidazolocarbene ligands and the use thereof in OLEDs UDC IRELAND LIMITED (IE) 2016-11-08 US disclosed
US-9458182-B2 Silyl- and heteroatom-substituted compounds selected from carbazoles, dibenzofurans, dibenzothiophenes and dibenzophospholes, and use thereof in organic electronics BASF SE (DE) 2016-10-04 US disclosed
US-8691401-B2 Bridged benzimidazole-carbene complexes and use thereof in OLEDS BASF SE (DE) 2014-04-08 US disclosed
US-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2013-02-07 US disclosed
US-8362246-B2 Bispyrimidines for electronic applications BASF SE (DE) 2013-01-29 US disclosed
US-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-06-14 US disclosed
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-19 US disclosed
US-20110253988-A1 BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS BASF SE (DE) 2011-10-20 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 (6 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-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS DPYD, TYMP, TYMS ESR2 1295/4885ESR1 1103/4885GRIA1 2510/4885
US-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, DRD2 ESR2 1877/4885ESR1 1451/4885GRIA1 479/4885
US-20110253988-A1 BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS CCND1, DRD2, CCND2 ESR2 742/4885ESR1 508/4885GRIA1 836/4885
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS OCIAD1, OCIAD2, DRD2 ESR2 1939/4885ESR1 1526/4885GRIA1 500/4885
US-20170025626-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS OCIAD1, OCIAD2, DRD2 ESR2 1939/4885ESR1 1526/4885GRIA1 500/4885
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 ESR2 2261/4885ESR1 1895/4885GRIA1 2511/4885

“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.