SCHEMBL20539779

SCHEMBL20539779

CN1CCN(c2ccc(Nc3nc(N4CCCC(n5ccc6cc(C7CC7)ccc6c5=O)C4)cnc3C(N)=O)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 18/20 0.49
▸ JAK3 P52333 17/20 0.49
▸ BTK Q06187 8/20 0.48
▸ EGFR P00533 7/20 0.48

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
SCHEMBL18283625 1.00 LCK (0.49) LCKJAK3BTKEGFR
SCHEMBL20539790 0.92 LCK (0.57) LCKJAK3BTKEGFR
SCHEMBL18283739 0.92 LCK (0.57) LCKJAK3BTKEGFR
SCHEMBL20540687 0.85 CSF1R (0.46) LCKJAK3BTKEGFR
SCHEMBL18283510 0.85 CSF1R (0.46) LCKJAK3BTKEGFR
SCHEMBL20540714 0.85 JAK3 (0.55) LCKJAK3BTKEGFR
SCHEMBL18284020 0.85 JAK3 (0.55) LCKJAK3BTKEGFR
SCHEMBL18296195 0.84 JAK3 (0.58) LCKJAK3BTKEGFR
SCHEMBL18284040 0.84 JAK3 (0.58) LCKJAK3BTKEGFR
SCHEMBL20540713 0.84 JAK3 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK LCK 3/4885JAK3 64/4885BTK 1/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK LCK 3/4885JAK3 64/4885BTK 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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