SCHEMBL807845

SCHEMBL807845

N#Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(C#N)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.48
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KCNN4 O15554 1/20 0.32
KCNA5 P22460 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PGR P06401 3/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SLC16A3 O15427 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
SCHEMBL807847 1.00 PDK2 (0.48) PDK2MAOAMAOBKCNN4KCNA5
SCHEMBL19443822 0.96 PDK2 (0.44) PDK2MAOAMAOBKCNN4KCNA5
SCHEMBL19890955 0.93 PDK2 (0.45) PDK2MAOAMAOBKCNN4KCNA5
SCHEMBL20779851 0.92 PDK2 (0.39) PDK2MAOAMAOBKCNN4KCNA5
SCHEMBL21442823 0.91 PDK2 (0.41) PDK2KCNN4KCNA5PGR
SCHEMBL16186425 0.90 PDK2 (0.41) PDK2KCNN4KCNA5
SCHEMBL23155253 0.89 PDK2 (0.40) PDK2MAOAMAOBKCNN4KCNA5
SCHEMBL16996418 0.89 PDK2 (0.40) PDK2MAOAMAOBKDM4EMAPT
SCHEMBL808121 0.89 PDK2 (0.48) PDK2MAOAMAOBPGRTSHR
SCHEMBL19754291 0.89 PDK2 (0.45) PDK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-9312495-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-04-12 US disclosed
EP-2616428-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-12-24 EP disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012034627-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 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-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM PDK2 1024/4885MAOA 582/4885MAOB 504/4885

“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.