SCHEMBL13781052

SCHEMBL13781052

Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(C(=O)c5ccccc5)cc42)c2cc(C(=O)c4ccccc4)ccc2-3)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.49
▸ CNR2 P34972 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ LTC4S Q16873 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL18854160 0.96 PDK2 (0.43) PDK2CNR2ALDH1A1LMNA
SCHEMBL134303 0.90 PDK2 (0.49) PDK2HPGDNPC1RAB9ATDP1
SCHEMBL12856537 0.90 PDK2 (0.49) PDK2HPGDNPC1RAB9ATDP1
SCHEMBL13781084 0.89 PDK2 (0.45) PDK2CNR2HPGDNPC1RAB9A
SCHEMBL132979 0.89 PDK2 (0.50) PDK2CNR2HPGDNPC1RAB9A
SCHEMBL13781048 0.88 PDK2 (0.49) PDK2NPC1RAB9AMAPT
SCHEMBL4402334 0.87 PDK2 (0.54) PDK2CNR2HPGDNPC1RAB9A
SCHEMBL17928299 0.86 PDK2 (0.57) PDK2CNR2NPC1RAB9AALDH1A1
SCHEMBL14207085 0.85 RAB9A (0.45) PDK2CNR2HPGDNPC1RAB9A
SCHEMBL12249764 0.85 PDK2 (0.43) PDK2ALDH1A1LMNACES1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024465-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-01-13 — — EP disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 — — US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 — — US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 — — US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 — — US disclosed
WO-2007137725-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-06 — — 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-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, OR10J3, PUF60 PDK2 1068/4885CNR2 4693/4885HPGD 1712/4885

“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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