SCHEMBL807849

SCHEMBL807849

c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c(-c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SMAD3 P84022 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL21368218 0.92 PDK2 (0.43) PDK2MEN1APAF1NPC1LMNA
SCHEMBL29767840 0.88 PDK2 (0.44) PDK2MEN1KMT2ASIRT2SIRT1
SCHEMBL796163 0.88 PDK2 (0.44) PDK2MEN1KMT2ASIRT2SIRT1
SCHEMBL15183718 0.87 PDK2 (0.44) PDK2MEN1APAF1NPC1LMNA
SCHEMBL29892218 0.86 PDK2 (0.39) PDK2MEN1APAF1NPC1LMNA
SCHEMBL17050076 0.86 ALDH1A1 (0.40) PDK2HTTNPSR1RIPK2EGFR
SCHEMBL807854 0.86 PDK2 (0.39) PDK2MEN1APAF1NPC1LMNA
SCHEMBL15713467 0.86 PDK2 (0.39) PDK2MEN1APAF1NPC1LMNA
SCHEMBL25657060 0.86 PDK2 (0.49) PDK2MEN1APAF1NPC1LMNA
SCHEMBL17760045 0.85 PDK2 (0.38) PDK2MEN1APAF1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 — — US disclosed
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 — — US disclosed
US-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-30 — — US disclosed
US-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-30 — — US disclosed
US-9312495-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-04-12 — — US disclosed
US-9312495-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-04-12 — — US disclosed
EP-2616428-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-12-24 — — EP disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 — — US disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 — — US disclosed
WO-2012034627-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — 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-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM PDK2 1024/4885MEN1 331/4885APAF1 3635/4885

“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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