SCHEMBL12109367

SCHEMBL12109367

CC1(C)c2ccccc2Nc2cc3c(cc21)-c1cc2c(cc1C3(C)C)Nc1ccccc1C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ HTR5A P47898 2/20 0.38
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PDGFRA P16234 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
SCHEMBL12109291 1.00 PDK2 (0.50) PDK2PDK4HTR5AGAAMAPT
SCHEMBL12776583 0.95 PDK2 (0.46) PDK2PDK4HTR5AGAAMAPT
SCHEMBL12723263 0.92 PDK2 (0.57) PDK2PDK4HTR5AGAAMAPT
SCHEMBL25012048 0.86 PDK2 (0.55) PDK2PDK4HTR5AGAAMAPT
SCHEMBL29371027 0.83 PDK2 (0.67) PDK2PDK4HTR5AGAAMAPT
SCHEMBL21585297 0.83 PDK2 (0.39) PDK2PDK4HTR5AMAPTKMT2A
SCHEMBL31911 0.83 PDK2 (0.67) PDK2PDK4HTR5AGAAMAPT
SCHEMBL15046241 0.83 PDK2 (0.36) PDK2PDK4ALDH1A1PGR
SCHEMBL28706253 0.81 PDK2 (0.64) PDK2PDK4HTR5AGAAMAPT
SCHEMBL12776293 0.81 PDK2 (0.50) PDK2PDK4HTR5AGAAMAPT

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-9034485-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2015-05-19 — — US disclosed
US-9034485-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2015-05-19 — — US disclosed
US-20110266533-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-11-03 — — US disclosed
US-20110266533-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-11-03 — — US disclosed
WO-2010083871-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — 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-20110266533-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO2A1, SLC40A1, TOE1 PDK2 1970/4885PDK4 2479/4885HTR5A 3139/4885

“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.

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