SCHEMBL23917574

SCHEMBL23917574

c1ccc(N(c2cc(N3CCCc4ccccc43)cc(N3CCCc4c3cccc4N3CCCc4ccccc43)c2)c2cccc(N(c3ccccc3)c3cc(N4CCCc5ccccc54)cc(N4CCCc5c4cccc5N4CCCc5ccccc54)c3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
NUDT1 P36639 1/20 0.35
HTT P42858 1/20 0.34
EPAS1 Q99814 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL23917712 0.94 ROCK1 (0.39) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL23917695 0.93 ROCK1 (0.40) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL24043567 0.91 ROCK1 (0.37) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL23917431 0.90 TSHR (0.35) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL23917429 0.84 TSHR (0.38) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL24043459 0.83 KEAP1 (0.37) ALDH1A1MAPTTSHRL3MBTL1KDM4E
SCHEMBL23917696 0.81 ALDH1A1 (0.41) ROCK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23917423 0.81 SIGMAR1 (0.38) ROCK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23908719 0.80 ROCK1 (0.43) ROCK1JAK2JAK3PTK2MAPT
SCHEMBL23917430 0.80 MAPT (0.43) ROCK1JAK2JAK3PTK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210320254-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-14 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-20210320254-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORAI2, SLC39A11, SLC39A7 ROCK1 4061/4885JAK2 4211/4885JAK3 4468/4885

“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.