Sugi Predict

Sugi Predict / Compounds / SCHEMBL22989296

SCHEMBL22989296

SCHEMBL22989296

c1ccc(N(c2cc(N3CCCc4ccccc43)cc(N3CCCc4ccccc43)c2)c2ccc3c(c2)oc2cc(N(c4ccccc4)c4cc(N5CCCc6ccccc65)cc(N5CCCc6ccccc65)c4)ccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ ALDH1A1 P00352 11/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EED O75530 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ KIT P10721 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NUDT1 P36639 1/20 0.33

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 0.86 ROCK1 (0.39) AKT1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL23917695 0.84 ROCK1 (0.40) AKT1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL23917574 0.81 ROCK1 (0.38) AKT1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL23917423 0.79 SIGMAR1 (0.38) AKT1PIK3CAALDH1A1MEN1KMT2A
SCHEMBL23917696 0.79 ALDH1A1 (0.41) AKT1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL24043567 0.76 ROCK1 (0.37) AKT1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL23917429 0.76 TSHR (0.38) AKT1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL23908721 0.76 EED (0.38) AKT1PIK3CAALDH1A1MEN1KMT2A
SCHEMBL23917431 0.74 TSHR (0.35) AKT1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL13333728 0.74 ROCK1 (0.38) ALDH1A1MEN1KMT2AROCK1MAPT

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
US-11839151-B2 Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-05 — — US disclosed
US-11839151-B2 Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-05 — — US disclosed
US-20210050525-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-18 — — 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 (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-11839151-B2 Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device LEF1, PIEZO1, OCIAD1 AKT1 4138/4885PIK3CA 3701/4885ALDH1A1 115/4885
US-20210050525-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, PIEZO1, OCIAD1 AKT1 4138/4885PIK3CA 3701/4885ALDH1A1 115/4885

“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.