SCHEMBL9920577

SCHEMBL9920577

c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc(-n4c5ccccc5c5cccnc54)ccc2C3)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.32
PDE4B Q07343 4/20 0.32
PDE4A P27815 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LDHA P00338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9920525 0.88 KDM4E (0.41) KDM4EATML3MBTL1
SCHEMBL9920566 0.88 KDM4E (0.41) KDM4EATML3MBTL1
SCHEMBL9920542 0.87 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL9920539 0.84 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL19837792 0.83 KDM4E (0.46) FEN1PDE4BPDE4APDE4CPDE4D
SCHEMBL9968164 0.83 KDM4E (0.46) FEN1PDE4BPDE4APDE4CPDE4D
SCHEMBL9920570 0.83 KDM4E (0.43) KDM4EATML3MBTL1
SCHEMBL9920555 0.82 MAOA (0.37) KDM4EATML3MBTL1
SCHEMBL9920574 0.82 CDK4 (0.37) KDM4EATML3MBTL1
SCHEMBL12219147 0.82 KDM4E (0.36) KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS DPYD, TYMP, TYMS FEN1 51/4885PDE4B 2425/4885PDE4A 2667/4885
US-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, DRD2 FEN1 4058/4885PDE4B 4578/4885PDE4A 4427/4885
US-20110253988-A1 BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS CCND1, DRD2, CCND2 FEN1 4448/4885PDE4B 4283/4885PDE4A 4484/4885
US-20170025626-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS OCIAD1, OCIAD2, DRD2 FEN1 4139/4885PDE4B 4560/4885PDE4A 4461/4885
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 FEN1 4135/4885PDE4B 4434/4885PDE4A 4627/4885

“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.