SCHEMBL2705372

SCHEMBL2705372

[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc4ccccc4c3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc4ccccc4c2)cc1/C3=C(/C#N)[N+]#[C-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MAOB P27338 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GSTP1 P09211 1/20 0.33
MAP4K4 O95819 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
GSK3B P49841 1/20 0.32
ITK Q08881 1/20 0.32
DYRK1A Q13627 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
SCHEMBL2706771 0.90 ADORA1 (0.33) ALOX5ESR1ESR2ADORA2AADORA1
SCHEMBL12148650 0.88 ALOX5 (0.41) ALOX5ESR1ESR2ADORA2AADORA1
SCHEMBL2755931 0.83 ESR1 (0.40) ALOX5ESR1ESR2ADORA2AADORA1
SCHEMBL2705370 0.82
SCHEMBL2704058 0.81 ESR1 (0.31) ESR1ESR2
SCHEMBL2705681 0.81 KIF11 (0.36) MAOBMAP4K4
SCHEMBL2706745 0.80 MEN1 (0.36) ADORA1MAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL2706870 0.80 CTSS (0.40) ADORA2AADORA1MAOB
SCHEMBL2706356 0.80
SCHEMBL2704130 0.80 ADORA1 (0.41) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170200899-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 US disclosed
US-20160329505-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-11-10 US disclosed
US-20160226002-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-08-04 US disclosed
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-28 US disclosed
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-20140246663-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JDI DESIGN AND DEVELOPMENT G.K. (JP) 2014-09-04 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 (6 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 ALOX5 2789/4885ESR1 52/4885ESR2 242/4885
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EFNA1, L1CAM, LEF1 ALOX5 1556/4885ESR1 70/4885ESR2 259/4885
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, HSD17B2, AZI2 ALOX5 999/4885ESR1 68/4885ESR2 81/4885
US-20160329505-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE LEF1, BMI1, L1CAM ALOX5 3806/4885ESR1 205/4885ESR2 489/4885
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 ALOX5 776/4885ESR1 151/4885ESR2 401/4885
US-20160226002-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE OR10J3, RER1, L1CAM ALOX5 1763/4885ESR1 54/4885ESR2 112/4885

“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.