SCHEMBL18884550

SCHEMBL18884550

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.62
▸ LCK P06239 7/20 0.62
▸ BTK Q06187 10/20 0.59
▸ EML4 Q9HC35 1/20 0.52
▸ ALK Q9UM73 1/20 0.52
▸ SYK P43405 4/20 0.52

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
SCHEMBL18884637 0.94 BTK (0.64) JAK3LCKBTKSYK
SCHEMBL18884551 0.91 BTK (0.64) JAK3LCKBTKSYK
SCHEMBL23080930 0.89 BTK (0.55) JAK3LCKBTK
SCHEMBL18296155 0.88 LCK (0.73) JAK3LCKBTKEML4ALK
SCHEMBL21855202 0.88 BTK (0.59) JAK3LCKBTKSYK
SCHEMBL21946319 0.88 BTK (0.59) JAK3LCKBTKSYK
SCHEMBL25605387 0.88 BTK (0.59) JAK3LCKBTK
SCHEMBL18884392 0.88 JAK3 (0.69) JAK3LCKBTKSYK
SCHEMBL25605382 0.88 BTK (0.62) JAK3LCKBTKSYK
SCHEMBL18884526 0.87 JAK3 (0.65) JAK3LCKBTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 53/4885LCK 3/4885BTK 1/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885LCK 3/4885BTK 1/4885

“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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