SCHEMBL2706802

SCHEMBL2706802

[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2nc3c(-c4ccccc4)c4nc5c(nc4c(-c4ccccc4)c3nc21)-c1ccc(F)cc1/C5=C(/C#N)[N+]#[C-]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.36
ADORA2A P29274 4/20 0.36
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
ADORA2B P29275 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SQOR Q9Y6N5 1/20 0.30

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
SCHEMBL2706793 0.86 USP8 (0.40) USP8USP7USP47
SCHEMBL2706362 0.86 USP8 (0.40) USP8USP7USP47
SCHEMBL2705378 0.86 USP8 (0.43) ADORA1ADORA2AUSP8USP7USP47
SCHEMBL2755928 0.85 ADORA1 (0.39) ADORA1ADORA2AUSP8USP7USP47
SCHEMBL2704135 0.82 USP8 (0.41) USP8USP7USP47KDM4E
SCHEMBL2706797 0.82 USP8 (0.41) USP8USP7USP47KDM4E
SCHEMBL2706800 0.80 USP8 (0.39) USP8USP7USP47KDM4E
SCHEMBL2706771 0.80 ADORA1 (0.33) ADORA1ADORA2AKDM4EHPGDNPSR1
SCHEMBL12148679 0.78 USP8 (0.34) USP8USP7USP47
SCHEMBL2704147 0.77 USP8 (0.38) USP8USP7USP47KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160204361-A1 CARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT WHICH COMPRISES SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH MANUFACTURED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-07-14 US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 US disclosed
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 (3 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-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND LEF1, L1CAM, OLA1 ADORA1 1417/4885ADORA2A 3163/4885USP8 2712/4885
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, HSD17B2, AZI2 ADORA1 1299/4885ADORA2A 691/4885USP8 4618/4885
US-20160204361-A1 CARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT WHICH COMPRISES SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH MANUFACTURED USING SAME L1CAM, EPB41, EPX ADORA1 566/4885ADORA2A 2149/4885USP8 3818/4885

“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.