SCHEMBL31739788

SCHEMBL31739788

COc1cc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2nc1N1CCCS1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 6/20 0.44
▸ FLT3 P36888 6/20 0.44
▸ LCK P06239 1/20 0.30
▸ RET P07949 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ CCNH P51946 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL27331054 0.94 NRAS (0.39) NRASFLT3
SCHEMBL27327102 0.94 NRAS (0.39) NRASFLT3
SCHEMBL30698357 0.89 FLT3 (0.50) NRASFLT3LCKRETPDGFRB
SCHEMBL27332443 0.85 NRAS (0.45) NRASFLT3LCKRETPDGFRB
SCHEMBL27327906 0.85 NRAS (0.45) NRASFLT3LCKRETPDGFRB
SCHEMBL31639195 0.84 FLT3 (0.46) NRASFLT3LCKRETPDGFRB
SCHEMBL31739545 0.82 NRAS (0.48) NRASFLT3LCKRETPDGFRB
SCHEMBL27327586 0.82 NRAS (0.48) NRASFLT3LCKRETPDGFRB
SCHEMBL27327754 0.82 NRAS (0.48) NRASFLT3LCKRETPDGFRB
SCHEMBL27330282 0.82 NRAS (0.48) NRASFLT3LCKRETPDGFRB

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-20250368648-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-12-04 — — 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-20250368648-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF FLT3, IRAK1, IRAK2 NRAS 371/4885FLT3 1/4885LCK 36/4885

“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.

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