SCHEMBL2706777

SCHEMBL2706777

[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)c(F)c3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1/C3=C(/C#N)[N+]#[C-]

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.43
CYP11B2 P19099 10/20 0.36
CYP11B1 P15538 7/20 0.36

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
SCHEMBL2704131 0.91 MPL (0.39) KIF11
SCHEMBL10050386 0.91 KIF11 (0.49) KIF11CYP11B2CYP11B1
SCHEMBL2706833 0.90 MPL (0.37) KIF11
SCHEMBL13373533 0.89 KIF11 (0.47) KIF11CYP11B2CYP11B1
SCHEMBL2704058 0.86 ESR1 (0.31)
SCHEMBL10019274 0.86 MPL (0.39)
SCHEMBL2705681 0.85 KIF11 (0.36) KIF11
SCHEMBL13594194 0.85 KIF11 (0.48) KIF11CYP11B2CYP11B1
SCHEMBL2706779 0.84 CTSS (0.34) CYP11B2CYP11B1
SCHEMBL2706736 0.83 FEN1 (0.38)

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 KIF11 1815/4885CYP11B2 73/4885CYP11B1 92/4885

“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.