SCHEMBL20935634

SCHEMBL20935634

CC1(C)c2ccccc2-c2ccc(Nc3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.40
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ BRD4 O60885 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ AR P10275 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ APP P05067 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
SCHEMBL19011255 0.91 PDK2 (0.41) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL24968708 0.87 PDK2 (0.44) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL22182353 0.86 PDK2 (0.35) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL24969298 0.85 PDK2 (0.42) PDK2STK10SLKCNR1BRD4
SCHEMBL20346073 0.84 PDK2 (0.41) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL24406663 0.84 PDK2 (0.44) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL25657121 0.84 PDK2 (0.47) PDK2STK10SLKMEN1ALDH1A1
SCHEMBL30721691 0.84 PDK2 (0.47) PDK2STK10SLKMEN1ALDH1A1
SCHEMBL24969757 0.84 PDK2 (0.43) PDK2STK10SLKMEN1ALDH1A1
SCHEMBL20935760 0.84 PDK2 (0.46) PDK2STK10SLKCNR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961230-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-03-30 — — US disclosed
US-20190119260-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-04-25 — — 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 (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-10961230-B2 Materials for organic electroluminescent devices DDT, PNMT, INMT PDK2 778/4885STK10 3783/4885SLK 3749/4885
US-20190119260-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, PNMT, INMT PDK2 778/4885STK10 3783/4885SLK 3749/4885

“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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