SCHEMBL12325035

SCHEMBL12325035

Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.43
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPRC P08575 1/20 0.35
APP P05067 1/20 0.33
ELANE P08246 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL15618076 1.00 PDK2 (0.43) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL12249764 1.00 PDK2 (0.43) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL12292340 1.00 PDK2 (0.43) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL3283160 0.97 PDK2 (0.41) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL10038925 0.97 PDK2 (0.41) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL10820310 0.97 PDK2 (0.41) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL22053434 0.97 PDK2 (0.41) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL14183694 0.97 PDK2 (0.41) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL18910342 0.96 PDK2 (0.45) PDK2ESR1ESR2CYP2C19KDM4E
SCHEMBL14854226 0.95 PDK2 (0.44) PDK2ESR1ESR2CYP2C19KDM4E

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
US-9343683-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
US-9343683-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
US-20130015403-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-17 US disclosed
US-20130015403-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-17 US disclosed
WO-2011116869-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-29 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-20130015403-A1 COMPOUNDS FOR ELECTRONIC DEVICES TEC, EFNA1, SLCO4C1 PDK2 871/4885ESR1 163/4885ESR2 298/4885

“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.