SCHEMBL21707326

SCHEMBL21707326

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.34
ROCK1 Q13464 1/20 0.34
PDK2 Q15119 8/20 0.33
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC9A1 P19634 2/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 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
SCHEMBL15501683 0.97 PIM3 (0.34) PIM3ROCK1PDK2MEN1ALDH1A1
SCHEMBL15501378 0.97 PIM3 (0.37) PIM3ROCK1PDK2F9MEN1
SCHEMBL17693930 0.97 PIM3 (0.37) PIM3ROCK1PDK2F9MEN1
SCHEMBL17640362 0.97 ROCK1 (0.35) PIM3ROCK1PDK2F9MEN1
SCHEMBL15501881 0.97 MAPT (0.34) PIM3ROCK1PDK2F9ALOX5
SCHEMBL23079184 0.95 PIM3 (0.34) PIM3ROCK1PDK2F9MEN1
SCHEMBL24169540 0.95 PIM3 (0.34) PIM3ROCK1PDK2F9MEN1
SCHEMBL24169851 0.95 PIM3 (0.34) PIM3ROCK1PDK2F9MEN1
SCHEMBL15501719 0.95 PIM3 (0.36) PIM3ROCK1PDK2F9MEN1
SCHEMBL21707342 0.93 GPR3 (0.35) PIM3ROCK1PDK2ALOX5MEN1

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
WO-2024111891-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2024-05-30 WO disclosed
WO-2024080655-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2024-04-18 WO disclosed
US-20230172055-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-01 US disclosed
US-20230172055-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-01 US disclosed
US-11665958-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-05-30 US disclosed
US-11665958-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-05-30 US disclosed
WO-2022139445-A1 ORGANIC ELECTRIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2022-06-30 WO disclosed
WO-2020032428-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2020-02-13 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-20230172055-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ETV6 PIM3 2879/4885ROCK1 4521/4885PDK2 2431/4885
US-11665958-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof OR51E2, NFE2L2, ETV6 PIM3 2879/4885ROCK1 4521/4885PDK2 2431/4885

“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.