SCHEMBL26086105

SCHEMBL26086105

C=CC(=O)N1CCC(c2c(-c3ccc(OC4CN(OC(=O)C(F)(F)F)C4)cc3)c3c(N)ncnc3n2C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 6/20 0.46
▸ BTK Q06187 13/20 0.43
▸ EGFR P00533 7/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ TEC P42680 3/20 0.42
▸ BMX P51813 3/20 0.42
▸ TXK P42681 2/20 0.42
▸ LYN P07948 2/20 0.42
▸ FGFR2 P21802 2/20 0.42
▸ ERBB2 P04626 2/20 0.42
▸ BLK P51451 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ LATS1 O95835 1/20 0.42
▸ NUDT14 O95848 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LCK P06239 1/20 0.42

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
SCHEMBL22677237 0.89 ITK (0.51) ITKBTKEGFRFGFR1FGFR4
SCHEMBL22676899 0.88 ITK (0.50) ITKBTKEGFRFGFR1FGFR4
SCHEMBL22676277 0.88 ITK (0.50) ITKBTKEGFRFGFR1FGFR4
SCHEMBL30303563 0.88 ITK (0.50) ITKBTKEGFRFGFR1FGFR4
SCHEMBL22676560 0.86 ITK (0.48) ITKBTKEGFRFGFR1FGFR4
SCHEMBL30303844 0.86 ITK (0.48) ITKBTKEGFRFGFR1FGFR4
SCHEMBL25129352 0.85 ITK (0.44) ITKBTKEGFRFGFR1FGFR4
SCHEMBL22676206 0.84 ITK (0.60) ITKBTKFGFR1FGFR4FGFR2
SCHEMBL22676404 0.81 ITK (0.49) ITKBTKEGFRFGFR1FGFR4
SCHEMBL22673414 0.81 EGFR (0.56) ITKBTKEGFRFGFR1FGFR4

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-11780845-B2 FGFR inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2023-10-10 — — 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-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 ITK 1273/4885BTK 39/4885EGFR 16/4885

“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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