SCHEMBL19824684

SCHEMBL19824684

NC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 19/20 0.66
▸ JAK3 P52333 18/20 0.66
▸ BTK Q06187 16/20 0.66
▸ EGFR P00533 10/20 0.64

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
SCHEMBL20867957 0.95 JAK3 (0.71) LCKJAK3BTKEGFR
SCHEMBL18884600 0.93 LCK (0.74) LCKJAK3BTKEGFR
SCHEMBL18884514 0.92 BTK (0.70) LCKJAK3BTKEGFR
SCHEMBL18296401 0.90 LCK (0.65) LCKJAK3BTKEGFR
SCHEMBL18884692 0.88 LCK (0.73) LCKJAK3BTKEGFR
SCHEMBL18296166 0.88 JAK3 (0.63) LCKJAK3BTKEGFR
SCHEMBL23484954 0.86 BTK (0.60) LCKJAK3BTKEGFR
SCHEMBL16763899 0.85 JAK3 (0.93) LCKJAK3BTKEGFR
SCHEMBL16764235 0.85 JAK3 (0.93) LCKJAK3BTKEGFR
SCHEMBL21946812 0.84 JAK3 (0.76) LCKJAK3BTKEGFR

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 LCK 3/4885JAK3 53/4885BTK 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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