SCHEMBL19824686

SCHEMBL19824686

CC(C)(C)OC(=O)N1CCC(C)(c2ccc(Nc3nc(N4CCCCC4)cnc3C#N)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.74
▸ LCK P06239 6/20 0.74
▸ EGFR P00533 4/20 0.74
▸ BTK Q06187 4/20 0.57
▸ JAK2 O60674 7/20 0.42
▸ JAK1 P23458 7/20 0.42
▸ CKS1B P61024 2/20 0.42
▸ SKP1 P63208 2/20 0.42
▸ SKP2 Q13309 2/20 0.42
▸ GPR119 Q8TDV5 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
SCHEMBL31039916 0.86 JAK3 (0.60) JAK3LCKEGFRBTKJAK2
SCHEMBL21946882 0.86 JAK3 (0.60) JAK3LCKEGFRBTKJAK2
SCHEMBL21946316 0.86 JAK3 (0.60) JAK3LCKEGFRBTKJAK2
SCHEMBL24927487 0.86 JAK3 (0.60) JAK3LCKEGFRBTKJAK2
SCHEMBL27175833 0.86 JAK3 (0.73) JAK3LCKEGFRBTK
SCHEMBL30160965 0.86 JAK3 (0.73) JAK3LCKEGFRBTK
SCHEMBL16764140 0.86 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16764138 0.86 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL24926138 0.85 JAK3 (0.79) JAK3LCKEGFRBTK
SCHEMBL21946354 0.85 JAK3 (0.56) JAK3LCKEGFRBTKJAK2

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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 53/4885LCK 3/4885EGFR 692/4885

“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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