SCHEMBL10074508

SCHEMBL10074508

Cc1ccc(-c2cnc3c(n2)-c2nc(-c4ccc(C(F)(F)F)cc4)cnc2/C3=N/C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
KCNH2 Q12809 6/20 0.35
PARP1 P09874 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KIF11 P52732 1/20 0.34
NPBWR1 P48145 1/20 0.34
GSR P00390 1/20 0.34
TOP1 P11387 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
AR P10275 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
SCHEMBL10075450 0.82 MAOB (0.41) CTSSCTSKKCNH2PARP1POLB
SCHEMBL10075454 0.82 MAOB (0.41) CTSSCTSKKCNH2PARP1POLB
SCHEMBL10074521 0.81 KCNH2 (0.39) CTSSCTSKCYP11B1CYP11B2KCNH2
SCHEMBL12247902 0.77 KIF11 (0.44) CTSSCTSKKIF11GSRMYC
SCHEMBL10074698 0.75 ATR (0.38) CTSSCTSKPOLBAR
SCHEMBL10050470 0.74 KCNH2 (0.40) KCNH2PARP1KIF11TOP1IDO1
SCHEMBL12247842 0.72 KIF11 (0.40) CTSSCTSKKCNH2KIF11GSR
SCHEMBL12247838 0.72 KIF11 (0.40) CTSSCTSKKCNH2KIF11GSR
SCHEMBL13267726 0.72 MAPK14 (0.43) CTSSCTSKKIF11GSRMYC
SCHEMBL12226914 0.71 MYC (0.37) CTSSCTSKKIF11GSRMYC

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 CTSS 2103/4885CTSK 3610/4885CYP11B1 3162/4885

“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.