SCHEMBL133437

SCHEMBL133437

O=C(c1cc(-c2cccnc2)cc(-c2cccnc2)c1)c1cc(-c2cccnc2)cc(-c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.64
MKNK1 Q9BUB5 8/20 0.58
MKNK2 Q9HBH9 8/20 0.58
CYP2A6 P11509 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP19A1 P11511 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
GLO1 Q04760 1/20 0.47

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
SCHEMBL10028645 0.93 KMO (0.57) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL10028699 0.87 KMO (0.77) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL27605046 0.87 KMO (0.77) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL18943256 0.85 KMO (0.60) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL13044190 0.84 KMO (0.73) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL31508264 0.83 CYP2A6 (0.83) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL12108682 0.83 CYP2A6 (0.83) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL12956908 0.83 CYP2A6 (0.83) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL12068478 0.83 CYP2A6 (0.83) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL17089048 0.83 KMO (0.77) KMOMKNK1MKNK2CYP2A6ALDH1A1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
WO-2019020538-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-01-31 WO disclosed
WO-2018069197-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 WO disclosed
EP-2984692-B1 ORGANIC ELECTROLUMINESCENCE DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENCE (TADF) MATERIAL MERCK PATENT GMBH (DE) 2018-01-31 EP disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-20120056169-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-03-08 US disclosed
US-20120056169-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-03-08 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2011141109-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
WO-2010115498-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-10-14 WO 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 KMO 2354/4885MKNK1 3730/4885MKNK2 3856/4885

“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.