SCHEMBL30856934

SCHEMBL30856934

COc1cc(Nc2nc(NC3CCOCC3)cnc2C(N)=O)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 16/20 0.76
RET P07949 14/20 0.76
ROS1 P08922 14/20 0.76
EML4 Q9HC35 12/20 0.76
ALK Q9UM73 12/20 0.76
BMPR1B O00238 1/20 0.76
PLK4 O00444 1/20 0.76
CIT O14578 1/20 0.76
AURKA O14965 1/20 0.76
GAK O14976 1/20 0.76
EPHB6 O15197 1/20 0.76
RIPK2 O43353 1/20 0.76
BUB1 O43683 1/20 0.76
SNRNP200 O75643 1/20 0.76
STK16 O75716 1/20 0.76
STK10 O94804 1/20 0.76
MAP4K4 O95819 1/20 0.76
LATS1 O95835 1/20 0.76
EGFR P00533 1/20 0.76
SLC25A5 P05141 1/20 0.76

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
Gilteritinib SCHEMBL29355822 0.86 FLT3 (1.00) FLT3RETROS1EML4ALK
Gilteritinib SCHEMBL282229 0.86 FLT3 (1.00) FLT3RETROS1EML4ALK
Gilteritinib SCHEMBL29432551 0.86 FLT3 (1.00) FLT3RETROS1EML4ALK
SCHEMBL25562040 0.86 FLT3 (0.81) FLT3RETROS1EML4ALK
SCHEMBL25562519 0.86 FLT3 (0.76) FLT3RETROS1EML4ALK
SCHEMBL25562493 0.85 FLT3 (0.75) FLT3RETROS1EML4ALK
SCHEMBL25562513 0.85 FLT3 (0.77) FLT3RETROS1EML4ALK
SCHEMBL25562542 0.85 FLT3 (0.77) FLT3RETROS1EML4ALK
SCHEMBL25562512 0.85 FLT3 (0.77) FLT3RETROS1EML4ALK
SCHEMBL25562540 0.85 FLT3 (0.77) FLT3RETROS1EML4ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11938132-B2 Stable pharmaceutical composition for oral administration ASTELLAS PHARMA INC. (JP) 2024-03-26 US claimed
WO-2025245059-A1 COMPOSITIONS COMPRISING GSK-3 AND/OR BETA-CATENIN INHIBITORS AND/OR DEGRADERS AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2025-11-27 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-11938132-B2 Stable pharmaceutical composition for oral administration H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC20A1, RCC1 FLT3 2633/4885RET 3013/4885ROS1 4626/4885

“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.