SCHEMBL2040804

SCHEMBL2040804

c1ccc(-n2cnc3nccnc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
HTT P42858 2/20 0.46
FGFR1 P11362 5/20 0.43
XDH P47989 1/20 0.41
SRC P12931 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30269650 1.00 EGFR (0.46) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL30269607 0.79 XDH (0.48) FGFR1XDHALDH1A1SMN1; SMN2
SCHEMBL1858815 0.74 HTT (0.58) HTTFGFR1SRCHCAR1
SCHEMBL4352301 0.74 HTT (0.58) HTTFGFR1SRC
SCHEMBL7033144 0.73 HTT (0.52) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL3236039 0.69 EGFR (0.51) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL25878225 0.67 PI4KA (0.49) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL2210667 0.66 KDM4E (0.43) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL29596321 0.66 TDP1 (0.32)
SCHEMBL4499130 0.66 MEN1 (0.53) ALDH1A1

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
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-20230026258-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2023-01-26 US disclosed
US-20230026258-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2023-01-26 US disclosed
US-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2023-01-05 US disclosed
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2022-12-22 US disclosed
US-11444254-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDs UDC IRELAND LIMITED (IE) 2022-09-13 US disclosed
US-20210126207-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2021-04-29 US disclosed
US-20210126207-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2021-04-29 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-9487548-B2 Metal complexes comprising diazabenzimidazolocarbene ligands and the use thereof in OLEDs UDC IRELAND LIMITED (IE) 2016-11-08 US disclosed
EP-2513125-B1 METAL COMPLEXES WITH DIAZABENZIMIDAZOLECARBENE LIGANDS AND THEIR USE IN OLEDS BASF SE (DE) 2014-10-29 EP disclosed
EP-2513125-B1 METAL COMPLEXES WITH DIAZABENZIMIDAZOLECARBENE LIGANDS AND THEIR USE IN OLEDS BASF SE (DE) 2014-10-29 EP disclosed
US-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2013-02-07 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-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2013-02-07 US disclosed
EP-2513125-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOL CARBENE-LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2012-10-24 EP disclosed
WO-2011073149-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOL CARBENE-LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2011-06-23 WO disclosed
US-4273862-A ANIONIC CYANINE DYE, HYDROQUINONE FRBRLOPRT MITSUBISHI PAPER MILLS, LTD. (JP) 1981-06-16 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 (7 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-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, DRD2 EGFR 2132/4885PI4KA 1792/4885PI4K2B 1723/4885
US-20230026258-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS OCIAD1, OCIAD2, DRD2 EGFR 2094/4885PI4KA 1725/4885PI4K2B 1658/4885
US-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OPRD1 EGFR 3630/4885PI4KA 3911/4885PI4K2B 4050/4885
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OSTC EGFR 3470/4885PI4KA 3558/4885PI4K2B 3683/4885
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS OCIAD1, OCIAD2, DRD2 EGFR 2094/4885PI4KA 1725/4885PI4K2B 1658/4885
US-20210126207-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS OCIAD1, OCIAD2, DRD2 EGFR 2094/4885PI4KA 1725/4885PI4K2B 1658/4885
US-11444254-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDs OCIAD1, OCIAD2, DRD2 EGFR 2094/4885PI4KA 1725/4885PI4K2B 1658/4885

“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.