SCHEMBL29556982

SCHEMBL29556982

Cc1ccc(Nc2ncc(F)c(Nc3cccc(O[C@@H]4CCCN(C)C4)c3)n2)cc1S(N)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.54
EGFR P00533 5/20 0.54
ITK Q08881 4/20 0.54
CDK2 P24941 3/20 0.54
AURKA O14965 2/20 0.54
PLK4 O00444 1/20 0.54
PDPK1 O15530 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
ERBB2 P04626 1/20 0.54
NTRK1 P04629 1/20 0.54
PRKCG P05129 1/20 0.54
INSR P06213 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CDK1 P06493 1/20 0.54
CSF1R P07333 1/20 0.54

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
SCHEMBL3998198 1.00 SYK (0.54) SYKEGFRITKCDK2AURKA
SCHEMBL29557224 0.93 EGFR (0.60) SYKEGFRITKCDK2AURKA
SCHEMBL4000289 0.93 EGFR (0.60) SYKEGFRITKCDK2AURKA
SCHEMBL3997298 0.92 SYK (0.57) SYKEGFRITKCDK2AURKA
SCHEMBL3999278 0.89 EGFR (0.63) SYKEGFRITKCDK2AURKA
SCHEMBL3999464 0.88 BCL6 (0.53) SYKEGFRITKCDK2AURKA
SCHEMBL29557519 0.88 BCL6 (0.53) SYKEGFRITKCDK2AURKA
SCHEMBL3999274 0.85 AURKA (0.51) SYKEGFRITKCDK2AURKA
SCHEMBL4001539 0.84 JAK2 (0.64) SYKEGFRITKCDK2AURKA
SCHEMBL5144670 0.83 CDK2 (0.53) SYKEGFRITKCDK2AURKA

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-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 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 (2 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-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 SYK 80/4885EGFR 621/4885ITK 505/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SYK 80/4885EGFR 621/4885ITK 505/4885

“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.