SCHEMBL802009

SCHEMBL802009

CC1(C)c2ccccc2-c2cc3c4ccc(C(=O)c5ccccc5)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ PPARG P37231 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL2603513 0.97 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL802450 0.95 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL2603514 0.92 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL12181466 0.91 PDK2 (0.34) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL2603515 0.91 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL20413324 0.89 PDK2 (0.32) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL802107 0.87 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2GLAKDM4EMEN1
SCHEMBL2603516 0.87 CNR2 (0.38) CNR2MEN1KMT2AL3MBTL1TDP1
SCHEMBL18505379 0.86 MEN1 (0.33) PDK2ALDH1A1RXRAMEN1KMT2A
SCHEMBL2603550 0.85 PDK2 (0.39) PDK2ALDH1A1SMN1; SMN2GLACNR2

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 2085/4885ALDH1A1 1226/4885SMN1; SMN2 4462/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885ALDH1A1 1226/4885SMN1; SMN2 4462/4885

“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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