SCHEMBL20465232

SCHEMBL20465232

CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccncc5)cc4)n3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.37
NPC1 O15118 7/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 5/20 0.36
HSD17B10 Q99714 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL22059018 0.90 L3MBTL1 (0.41) PDK2SMN1; SMN2MAPTHSD17B10NFKB1
SCHEMBL18463295 0.90 L3MBTL1 (0.41) PDK2SMN1; SMN2MAPTHSD17B10NFKB1
SCHEMBL18463561 0.90 L3MBTL1 (0.41) PDK2SMN1; SMN2MAPTHSD17B10NFKB1
SCHEMBL18463521 0.88 PDK2 (0.38) PDK2TSHR
SCHEMBL18463302 0.87 PDK2 (0.47) PDK2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17252444 0.87 L3MBTL1 (0.43) PDK2SMN1; SMN2MAPTHSD17B10NFKB1
SCHEMBL18463301 0.86 PDK2 (0.46) PDK2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22037903 0.86 PDK2 (0.46) PDK2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18463565 0.86 PDK2 (0.38) PDK2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13314078 0.85 PDK2 (0.41) PDK2MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328841-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-10-11 EP disclosed
US-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-09 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-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, NES, PIR PDK2 364/4885NPC1 3504/4885RAB9A 2955/4885

“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.