SCHEMBL31523759

SCHEMBL31523759

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(Cl)c(OC)c4)c4c(N)ncnc4n3CCOC)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.46
▸ KIF5B P33176 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ FGFR1 P11362 8/20 0.45
▸ FGFR4 P22455 7/20 0.45
▸ BTK Q06187 4/20 0.44
▸ JAK2 O60674 3/20 0.44
▸ JAK3 P52333 3/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ FGFR2 P21802 11/20 0.44
▸ FGFR3 P22607 4/20 0.44
▸ KDR P35968 3/20 0.43

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
SCHEMBL24458525 1.00 RET (0.46) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458601 0.91 RET (0.49) RETKIF5BITKFGFR1FGFR4
SCHEMBL31523780 0.91 ITK (0.44) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458799 0.91 ITK (0.44) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458596 0.91 BTK (0.47) ITKFGFR1FGFR4BTKJAK2
SCHEMBL31523867 0.88 RET (0.49) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458784 0.88 RET (0.49) RETKIF5BITKFGFR1FGFR4
SCHEMBL31523775 0.87 ITK (0.45) ITKFGFR1FGFR4BTKJAK2
SCHEMBL24458688 0.87 ITK (0.45) ITKFGFR1FGFR4BTKJAK2
SCHEMBL24458997 0.86 ITK (0.45) RETKIF5BITKFGFR1FGFR4

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-20250154154-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. 2025-05-15 — — 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-20250154154-A1 SRC INHIBITORS AND USES THEREOF SRC, LCK, FYN RET 56/4885KIF5B 1634/4885ITK 274/4885

“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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