SCHEMBL29776282

SCHEMBL29776282

COc1nccc(-c2cc3cnc(NC(=O)C4C5CCCCC54)cc3n2C)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.41
MAP4K1 Q92918 4/20 0.40
GSK3B P49841 7/20 0.39
DYRK1A Q13627 7/20 0.39
WNT1 P04628 5/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.36
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
BTK Q06187 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
SCHEMBL27197005 1.00 ABL1 (0.41) ABL1MAP4K1GSK3BDYRK1AWNT1
SCHEMBL27196862 0.90 ABL1 (0.53) ABL1GSK3BDYRK1AWNT1
SCHEMBL29776236 0.90 ABL1 (0.53) ABL1GSK3BDYRK1AWNT1
SCHEMBL27196991 0.84 ABL1 (0.44) ABL1GSK3BDYRK1AWNT1
SCHEMBL27197027 0.84 ABL1 (0.44) ABL1GSK3BDYRK1AWNT1
SCHEMBL27196994 0.84 ABL1 (0.44) ABL1GSK3BDYRK1AWNT1
SCHEMBL29776246 0.79 DYRK1A (0.50) MAP4K1GSK3BDYRK1AWNT1
SCHEMBL27196910 0.79 DYRK1A (0.50) MAP4K1GSK3BDYRK1AWNT1
SCHEMBL29776391 0.79 GSK3B (0.35) ABL1GSK3BDYRK1AWNT1MAPK1
SCHEMBL27197136 0.79 GSK3B (0.35) ABL1GSK3BDYRK1AWNT1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 EP claimed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 WO claimed
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 US disclosed
EP-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 EP disclosed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 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 (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-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CYP11B2, CYP11B1, CYP8B1 ABL1 1664/4885MAP4K1 2667/4885GSK3B 106/4885

“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.