SCHEMBL19628820

SCHEMBL19628820

CC1(C)c2cc(Nc3cccc(-c4ccccc4)c3)ccc2-c2ccc(-c3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AR P10275 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CNR1 P21554 1/20 0.38
BRD4 O60885 2/20 0.38
SYK P43405 1/20 0.38
APP P05067 1/20 0.38
TDP2 O95551 1/20 0.38
PGR P06401 2/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPK8 P45983 1/20 0.37
PIK3CG P48736 1/20 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
SCHEMBL9916951 0.95 PDK2 (0.48) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL16366512 0.95 PDK2 (0.48) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL9916948 0.95 PDK2 (0.43) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL9916964 0.94 PDK2 (0.46) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL16366511 0.94 PDK2 (0.46) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL15713473 0.94 PDK2 (0.46) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL16366599 0.94 PDK2 (0.46) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL22182374 0.93 PDK2 (0.47) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL22182363 0.93 PDK2 (0.46) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL20935760 0.93 PDK2 (0.46) PDK2MEN1ALDH1A1ARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3577101-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-03 EP disclosed
WO-2018141706-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 WO disclosed
US-20170338414-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-23 US 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-20170338414-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM PDK2 1024/4885MEN1 331/4885ALDH1A1 33/4885

“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.