SCHEMBL802629

SCHEMBL802629

CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccn5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.38
▸ BRD4 O60885 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ TNKS O95271 2/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL16307356 0.92 PDK2 (0.33) PDK2BRD4
SCHEMBL802052 0.91 PDK2 (0.36) PDK2BRD4NPY5RALDH1A1MAPT
SCHEMBL802623 0.91 MEN1 (0.30) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL802706 0.90 MEN1 (0.31) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL802490 0.90 MEN1 (0.33) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL802738 0.90 MEN1 (0.33) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL782089 0.89 MEN1 (0.33) PDK2ALDH1A1MAPTHPGDMEN1
SCHEMBL802996 0.89 MEN1 (0.33) PDK2ALDH1A1MAPTHPGDMEN1
SCHEMBL16076414 0.88 — —
SCHEMBL783477 0.88 MEN1 (0.41) ALDH1A1MAPTHPGDMEN1KMT2A

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-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — 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 (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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885BRD4 992/4885NPY5R 2491/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885BRD4 992/4885NPY5R 2491/4885

“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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