SCHEMBL2603550

SCHEMBL2603550

CC1(C)c2ccccc2-c2ccc3c4ccc(C(=O)c5ccccc5)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.39
▸ CNR2 P34972 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTPRC P08575 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ TNK2 Q07912 3/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL16160489 0.95 CNR2 (0.38) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603548 0.93 PDK2 (0.38) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603552 0.90 CNR2 (0.38) CNR2ALDH1A1SMN1; SMN2ATMTDP1
SCHEMBL2603549 0.89 CNR2 (0.37) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL18505563 0.87 PDK2 (0.33) PDK2
SCHEMBL2603513 0.86 PDK2 (0.38) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603551 0.86 CNR2 (0.35) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL2603527 0.86 DUSP3 (0.36) ALDH1A1SMN1; SMN2ATMTDP1L3MBTL1
SCHEMBL802009 0.85 PDK2 (0.37) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL19723456 0.85 PDK2 (0.32) PDK2

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 1197/4885CNR2 3952/4885ALDH1A1 1717/4885

“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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