SCHEMBL17816748

SCHEMBL17816748

Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.40
PTPRC P08575 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES1 P23141 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL19167936 1.00 PDK2 (0.40) PDK2PTPRCESR1ESR2ELANE
SCHEMBL19166053 1.00 PDK2 (0.40) PDK2PTPRCESR1ESR2ELANE
SCHEMBL10038925 0.98 PDK2 (0.41) PDK2PTPRCESR1ESR2ELANE
SCHEMBL3283160 0.98 PDK2 (0.41) PDK2PTPRCESR1ESR2ELANE
SCHEMBL22053434 0.98 PDK2 (0.41) PDK2PTPRCESR1ESR2ELANE
SCHEMBL10820310 0.98 PDK2 (0.41) PDK2PTPRCESR1ESR2ELANE
SCHEMBL14183694 0.98 PDK2 (0.41) PDK2PTPRCESR1ESR2ELANE
SCHEMBL19167388 0.95 PDK2 (0.40) PDK2PTPRCESR1ESR2ELANE
SCHEMBL12120371 0.95 PDK2 (0.39) PDK2PTPRCESR1ESR2ELANE
SCHEMBL14329490 0.95 PDK2 (0.45) PDK2PTPRCESR1ESR2ELANE

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 893/4885PTPRC 4014/4885ESR1 263/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 PDK2 893/4885PTPRC 4014/4885ESR1 263/4885

“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.