SCHEMBL2756385

SCHEMBL2756385

Cc1ccc2c(c1)C(=C(C#N)C#N)c1nc3c(nc1-2)C(=C(C#N)C#N)c1cc(C(F)(F)F)ccc1-3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
KIF11 P52732 2/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
NLRP3 Q96P20 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CTSK P43235 2/20 0.33
CTSS P25774 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPBWR1 P48145 1/20 0.33
XDH P47989 1/20 0.32
PDK2 Q15119 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2756300 0.94 KDM4E (0.39) USP8USP7KIF11PIK3CAPIK3CB
SCHEMBL2756309 0.94 KDM4E (0.39) USP8USP7KIF11PIK3CAPIK3CB
SCHEMBL16002415 0.92 KDM4E (0.37) NLRP3CTSKCTSSKDM4EXDH
SCHEMBL2756419 0.86 AR (0.39) KIF11CTSKCTSSNPBWR1XDH
SCHEMBL1755017 0.85 KDM4E (0.44) PIK3CANLRP3CTSKCTSSKDM4E
SCHEMBL1755014 0.85 KDM4E (0.44) PIK3CANLRP3CTSKCTSSKDM4E
SCHEMBL2756399 0.84 AR (0.38) USP8USP7KIF11CTSKCTSS
SCHEMBL12149373 0.84 MAPT (0.39) KIF11PIK3CAPIK3CBPIK3CGNLRP3
SCHEMBL2756396 0.83 AR (0.42) KIF11CTSKCTSSXDHPDK2
SCHEMBL2755929 0.83 AR (0.42) CTSKCTSSKDM4EXDHPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088901-B2 Azaindenofluorenedione derivative, material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-01-03 US disclosed
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-12-24 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 (1 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-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, HSD17B2, AZI2 USP8 4618/4885USP7 3736/4885KIF11 1815/4885

“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.