SCHEMBL13021741

SCHEMBL13021741

c1ccc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccncc6c5c4)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.45
TNF P01375 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
PIK3CA P42336 1/20 0.43
CSNK2A2 P19784 5/20 0.43
CSNK2B P67870 5/20 0.43
NOTUM Q6P988 1/20 0.42
IMPDH2 P12268 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
CYP11B1 P15538 2/20 0.40
PARP1 P09874 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B2 P19099 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38
CHEK1 O14757 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL13021752 1.00 MAPK10 (0.45) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL13021754 1.00 MAPK10 (0.45) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL13021744 1.00 MAPK10 (0.45) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL13021784 0.96 KDM4E (0.43) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL13021781 0.96 KDM4E (0.43) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL13021799 0.96 KDM4E (0.43) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL13021798 0.96 KDM4E (0.43) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL18252357 0.87 TNF (0.44) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL18252361 0.87 TNF (0.44) MAPK10TNFMKNK1PIK3CACSNK2A2
SCHEMBL17281384 0.86 NOTUM (0.56) MKNK1PIK3CANOTUMIMPDH2CHEK1

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
EP-3120396-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2021-06-02 EP disclosed
US-20170092875-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-03-30 US disclosed
US-20170092875-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-03-30 US disclosed
EP-2520571-B1 2-azatriphenylene materials for organic light emitting diodes UNIVERSAL DISPLAY CORP (US) 2016-08-17 EP disclosed
WO-2015139808-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-09-24 WO disclosed
US-9005771-B2 2-azatriphenylene materials for organic light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2015-04-14 US disclosed
US-9005771-B2 2-azatriphenylene materials for organic light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2015-04-14 US disclosed
EP-2429997-B1 2-AZATRIPHENYLENE MATERIALS FOR ORGANIC LIGHT EMITTING DIODES UNIVERSAL DISPLAY CORP (US) 2014-01-15 EP disclosed
US-20100289406-A1 2-AZATRIPHENYLENE MATERIALS FOR ORGANIC LIGHT EMITTING DIODES UNIVERSAL DISPLAY CORPORATION (US) 2010-11-18 US disclosed
US-20100289406-A1 2-AZATRIPHENYLENE MATERIALS FOR ORGANIC LIGHT EMITTING DIODES UNIVERSAL DISPLAY CORPORATION (US) 2010-11-18 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-20100289406-A1 2-AZATRIPHENYLENE MATERIALS FOR ORGANIC LIGHT EMITTING DIODES DDT, NR2E3, ALKBH2 MAPK10 4209/4885TNF 3793/4885MKNK1 2091/4885

“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.