SCHEMBL2756302

SCHEMBL2756302

Cc1ccc(-c2ccc3c(c2)C(=C(C#N)C#N)c2nc4cc5nc6c(nc5cc4nc2-3)-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2C6=C(C#N)C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
PDK2 Q15119 1/20 0.37
NPBWR1 P48145 1/20 0.36
XDH P47989 1/20 0.35
DHODH Q02127 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KDM1A O60341 1/20 0.34
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DHFR P00374 3/20 0.34
TYMS P04818 1/20 0.33
TOP1 P11387 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
PTPN1 P18031 1/20 0.32
TDP2 O95551 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
SCHEMBL2756306 1.00 AR (0.37) ARPDK2NPBWR1XDHDHODH
SCHEMBL2756419 0.94 AR (0.39) ARPDK2NPBWR1XDHDHODH
SCHEMBL13207420 0.94 KIF11 (0.38) PDK2XDHDHODHCTSSCTSK
SCHEMBL16002368 0.94 KIF11 (0.38) PDK2XDHDHODHCTSSCTSK
SCHEMBL2756399 0.92 AR (0.38) ARPDK2NPBWR1XDHDHODH
SCHEMBL2756160 0.88 KIF11 (0.41) XDHDHODHCTSSCTSKKIF11
SCHEMBL2756300 0.87 KDM4E (0.39) PDK2NPBWR1DHODHCTSSCTSK
SCHEMBL2756309 0.87 KDM4E (0.39) PDK2NPBWR1DHODHCTSSCTSK
SCHEMBL2756403 0.86 AR (0.34) ARPDK2NPBWR1XDHCTSS
SCHEMBL16002454 0.86 KIF11 (0.39) XDHDHODHCTSSCTSKKIF11

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 AR 164/4885PDK2 255/4885NPBWR1 4749/4885

“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.