Sugi Predict

Sugi Predict / Compounds / SCHEMBL24719652

SCHEMBL24719652

SCHEMBL24719652

CC(=O)N(C)c1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ CHEK1 O14757 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ RET P07949 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL30930966 1.00 MAPKAPK2 (0.38) MAPKAPK2MAPTSLC6A2SLC6A3CYP2D6
SCHEMBL27387681 0.85 SLC6A2 (0.34) MAPKAPK2MAPTSLC6A2SLC6A3CYP2D6
SCHEMBL30124692 0.83 MAPKAPK2 (0.45) MAPKAPK2MAPTPIK3CACHEK1NPC1
SCHEMBL24719664 0.83 MAPKAPK2 (0.45) MAPKAPK2MAPTPIK3CACHEK1NPC1
Bromide SCHEMBL29182796 0.83 MAPKAPK2 (0.44) MAPKAPK2MAPTPIK3CACHEK1NPC1
SCHEMBL24951667 0.80 MAPKAPK2 (0.43) MAPKAPK2MAPTSLC6A2SLC6A3TSHR
SCHEMBL24719366 0.80 MAPKAPK2 (0.43) MAPKAPK2MAPTPIK3CAMTORCHEK1
SCHEMBL30124375 0.80 MAPKAPK2 (0.43) MAPKAPK2MAPTPIK3CAMTORCHEK1
SCHEMBL24952426 0.79 F10 (0.38) MAPKAPK2CHEK1RET
SCHEMBL24720315 0.79 AURKA (0.45) MAPKAPK2MAPTCLK4CHEK1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 — — US disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 — — US disclosed
WO-2024123999-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 — — WO disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 — — CN disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 — — US disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 — — 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-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA MAPKAPK2 2219/4885MAPT 2666/4885SLC6A2 2389/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 MAPKAPK2 3146/4885MAPT 3455/4885SLC6A2 3734/4885

“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.