SCHEMBL20196495

SCHEMBL20196495

CC(C)(C)c1cccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.47
▸ KIF11 P52732 2/20 0.44
▸ STK10 O94804 1/20 0.44
▸ SLK Q9H2G2 1/20 0.44
▸ KCNK18 Q7Z418 1/20 0.43
▸ MAPK14 Q16539 3/20 0.43
▸ ALOX5 P09917 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ ADORA2A P29274 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL29706077 1.00 PDK2 (0.47) PDK2KIF11STK10SLKKCNK18
SCHEMBL16596687 0.89 PDK2 (0.49) PDK2KIF11STK10SLKMAPK14
SCHEMBL29853707 0.89 PDK2 (0.49) PDK2KIF11STK10SLKMAPK14
SCHEMBL30935419 0.89 PDK2 (0.49) PDK2KIF11STK10SLKMAPK14
SCHEMBL31584054 0.86 CNR1 (0.44) PDK2KIF11STK10SLKKCNK18
SCHEMBL24969208 0.86 PDK2 (0.49) PDK2KIF11STK10SLKMAPK14
SCHEMBL29462256 0.85 PDK2 (0.51) PDK2MAPK14ALDH1A1L3MBTL1
SCHEMBL12950969 0.85 PDK2 (0.51) PDK2MAPK14ALDH1A1L3MBTL1
SCHEMBL782290 0.85 PDK2 (0.51) PDK2MAPK14ALDH1A1L3MBTL1
SCHEMBL30359216 0.85 CNR1 (0.43) PDK2KIF11STK10SLKKCNK18

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12004419-B2 Electroactive compounds LG CHEM, LTD. (KR) 2024-06-04 — — US disclosed
CN-114940681-A Electroactive compounds 株式会社LG化学 2022-08-26 — — CN disclosed
CN-110023319-B Electroactive compounds 株式会社LG化学 2022-06-17 — — CN disclosed
US-20220093872-A1 Electroactive Compounds LG CHEM, LTD. (KR) 2022-03-24 — — US disclosed
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 — — US disclosed
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 — — US disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 — — WO disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 — — 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 (3 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-20220093872-A1 Electroactive Compounds KCNN3, KCNN2, HCN3 PDK2 1348/4885KIF11 3875/4885STK10 3753/4885
US-12004419-B2 Electroactive compounds KCNN3, KCNN2, HCN3 PDK2 1348/4885KIF11 3875/4885STK10 3753/4885
US-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 PDK2 1291/4885KIF11 3639/4885STK10 3711/4885

“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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