SCHEMBL2603513

SCHEMBL2603513

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccc(C(=O)c2ccccc2)cc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ PPARG P37231 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL802009 0.97 PDK2 (0.37) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL2603514 0.95 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL2603515 0.94 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL802450 0.92 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL2603516 0.90 CNR2 (0.38) CNR2MEN1KMT2AL3MBTL1TDP1
SCHEMBL12181466 0.89 PDK2 (0.34) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL2603567 0.88 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2GLAKDM4EMEN1
SCHEMBL20413324 0.87 PDK2 (0.32) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL18505531 0.86 MEN1 (0.33) PDK2ALDH1A1RXRAMEN1KMT2A
SCHEMBL2603550 0.86 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — 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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — 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 (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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC PDK2 1197/4885ALDH1A1 1717/4885SMN1; SMN2 3206/4885

“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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