SCHEMBL2756396

SCHEMBL2756396

Cc1cccc(-c2ccc3c(c2)C(=C(C#N)C#N)c2nc4c(nc2-3)C(=C(C#N)C#N)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-4)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
PDK2 Q15119 1/20 0.40
KIF11 P52732 2/20 0.36
PAX8 Q06710 1/20 0.36
ERBB2 P04626 1/20 0.35
PTPN5 P54829 1/20 0.35
XDH P47989 2/20 0.35
TP53 P04637 1/20 0.34
PGR P06401 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ENPP1 P22413 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
DHODH Q02127 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL2755929 0.94 AR (0.42) ARPDK2PTPN5XDHCTSS
SCHEMBL2756419 0.91 AR (0.39) ARPDK2KIF11ERBB2XDH
SCHEMBL10073837 0.90 CTSS (0.41) KIF11XDHCTSSCTSKDHODH
SCHEMBL2756160 0.90 KIF11 (0.41) KIF11XDHCTSSCTSKDHODH
SCHEMBL2756399 0.89 AR (0.38) ARPDK2KIF11ERBB2XDH
SCHEMBL16002454 0.87 KIF11 (0.39) KIF11XDHCNR1CTSSCTSK
SCHEMBL13207220 0.86 CTSS (0.44) KIF11XDHPGRCTSSCTSK
SCHEMBL2756302 0.86 AR (0.37) ARPDK2KIF11XDHCTSS
SCHEMBL2756306 0.86 AR (0.37) ARPDK2KIF11XDHCTSS
SCHEMBL2756392 0.85 KIF11 (0.41) KIF11XDHCNR1CTSSCTSK

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 255/4885KIF11 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.