SCHEMBL17816797

SCHEMBL17816797

CC1(C)c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccccc32)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.36
TYMS P04818 1/20 0.33
PDE6D O43924 1/20 0.32
PGR P06401 1/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
XBP1 P17861 1/20 0.30
PTBP1 P26599 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
GALK1 P51570 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
SCHEMBL16810737 0.98 PDK2 (0.36) PDK2TYMSPDE6DPGR
SCHEMBL15213627 0.98 PDK2 (0.37) PDK2TYMSPDE6DPGRMEN1
SCHEMBL19001836 0.96 PDK2 (0.38) PDK2TYMSPDE6DPGR
SCHEMBL19001828 0.94 PDK2 (0.39) PDK2TYMSPDE6DPGR
SCHEMBL19001815 0.94 PDK2 (0.39) PDK2TYMSPDE6DPGR
SCHEMBL15870916 0.91 PDK2 (0.33) PDK2TYMSPDE6DMEN1LMNA
SCHEMBL19001839 0.89 PDK2 (0.34) PDK2PGR
SCHEMBL19684060 0.88 MAPT (0.33) PDE6DMEN1MAPTTHRBKMT2A
SCHEMBL17816744 0.87 PDE6D (0.38) PDK2PDE6DPGR
SCHEMBL25121505 0.87 PDE6D (0.33) PDK2PDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 PDK2 893/4885TYMS 1145/4885PDE6D 1911/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 PDK2 893/4885TYMS 1145/4885PDE6D 1911/4885

“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.