SCHEMBL30621237

SCHEMBL30621237

CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.55
FLT3 P36888 8/20 0.55
IRAK1 P51617 4/20 0.55
NRAS P01111 3/20 0.55
LCK P06239 2/20 0.52
RET P07949 2/20 0.52
PDGFRB P09619 2/20 0.52
CDK7 P50613 2/20 0.52
BLK P51451 2/20 0.52
CCNH P51946 2/20 0.52
SRPK1 Q96SB4 1/20 0.51

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
SCHEMBL25990958 1.00 IRAK4 (0.55) IRAK4FLT3IRAK1NRASLCK
SCHEMBL24231346 1.00 IRAK4 (0.55) IRAK4FLT3IRAK1NRASLCK
SCHEMBL25991303 0.92 IRAK4 (0.53) IRAK4FLT3IRAK1NRASLCK
SCHEMBL30621261 0.92 IRAK4 (0.53) IRAK4FLT3IRAK1NRASLCK
SCHEMBL24231328 0.92 IRAK4 (0.53) IRAK4FLT3IRAK1NRASLCK
SCHEMBL24231778 0.92 IRAK4 (0.53) IRAK4FLT3IRAK1NRASLCK
SCHEMBL25991301 0.92 IRAK4 (0.53) IRAK4FLT3IRAK1NRASLCK
SCHEMBL24231323 0.92 FLT3 (0.54) IRAK4FLT3IRAK1NRASLCK
SCHEMBL29370093 0.92 FLT3 (0.54) IRAK4FLT3IRAK1NRASLCK
SCHEMBL25990088 0.92 FLT3 (0.54) IRAK4FLT3IRAK1NRASLCK

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-20230303563-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER 2023-09-28 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-20230303563-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF FLT3, IRAK2, IRAK3 IRAK4 5/4885FLT3 1/4885IRAK1 4/4885

“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.