SCHEMBL10050442

SCHEMBL10050442

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CTSS P25774 4/20 0.40
MAOB P27338 1/20 0.40
RORB Q92753 6/20 0.36
CTSK P43235 5/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RORC P51449 2/20 0.35

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
SCHEMBL10050440 0.91 RORB (0.34) ADORA2AADORA1CTSSMAOBRORB
SCHEMBL2706870 0.89 CTSS (0.40) ADORA2AADORA1CTSSMAOBCTSK
SCHEMBL10050437 0.87 MYC (0.37) MAOBMAPK13RAF1MAPK12MAPK11
SCHEMBL2705380 0.86 CTSS (0.38) ADORA2AADORA1CTSSMAOBCTSK
SCHEMBL10074364 0.85 ADORA2A (0.45) ADORA2AADORA1CTSSMAOBRORB
SCHEMBL10050465 0.83 KDM4E (0.46) KDM4E
SCHEMBL2706844 0.82 KDM4E (0.33) CTSSCTSKKDM4E
SCHEMBL10050436 0.82 AR (0.50) RXRARXRBRXRG
SCHEMBL10050447 0.82 TOP1 (0.39) MAOBKCNH2KDM4EMAPT
SCHEMBL10050450 0.81 PIK3R1 (0.39) MAOBKDM4EMAPT

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 ADORA2A 4134/4885ADORA1 2796/4885CTSS 2103/4885

“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.