SCHEMBL5014039

SCHEMBL5014039

Cn1c2cc(N(c3ccccc3)c3ccccc3)ccc2c2cc3c(cc21)c1ccc(N(c2ccccc2)c2ccccc2)cc1n3C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.42
PABPC1 P11940 1/20 0.41
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPT P10636 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL17904090 0.96 GPR3 (0.45) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL17904083 0.93 KDM4E (0.44) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL18564754 0.92 GPR3 (0.38) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL15747046 0.91 GPR3 (0.55) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL9979910 0.89 KDM4E (0.42) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL11922000 0.88 GPR3 (0.52) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL11922016 0.88 GPR3 (0.52) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL18565010 0.88 KDM4E (0.36) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL11922017 0.87 RXRA (0.51) GPR3PABPC1KIF11ALDH1A1KDM4E
SCHEMBL11922020 0.87 RXRA (0.51) GPR3PABPC1KIF11ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883688-B1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-11 EP disclosed
EP-1883688-B1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-11 EP disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
EP-1883688-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2008-02-06 EP disclosed
WO-2006122630-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2006-11-23 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 (2 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-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices TYR, DDT, PAH GPR3 2889/4885PABPC1 2505/4885KIF11 1327/4885
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 GPR3 4212/4885PABPC1 1733/4885KIF11 2560/4885

“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.