SCHEMBL20540838

SCHEMBL20540838

C=CC(=O)N1CCCC(Nc2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.59
▸ EGFR P00533 8/20 0.59
▸ LCK P06239 5/20 0.59
▸ JAK3 P52333 9/20 0.57
▸ ITK Q08881 2/20 0.54
▸ SYK P43405 3/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ MAPK3 P27361 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ AURKB Q96GD4 2/20 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
SCHEMBL20540837 1.00 BTK (0.59) BTKEGFRLCKJAK3ITK
SCHEMBL20539903 0.90 BTK (0.61) BTKEGFRLCKJAK3ITK
SCHEMBL18296467 0.90 BTK (0.59) BTKEGFRLCKJAK3ITK
SCHEMBL20540690 0.90 BTK (0.59) BTKEGFRLCKJAK3ITK
SCHEMBL20539944 0.90 BTK (0.61) BTKEGFRLCKJAK3ITK
SCHEMBL20540562 0.90 BTK (0.67) BTKEGFRLCKJAK3ITK
SCHEMBL18296243 0.90 BTK (0.67) BTKEGFRLCKJAK3ITK
SCHEMBL20539676 0.89 BTK (0.58) BTKEGFRLCKJAK3ITK
SCHEMBL20540660 0.89 JAK3 (0.58) BTKEGFRLCKJAK3ITK
SCHEMBL18296534 0.89 BTK (0.58) BTKEGFRLCKJAK3ITK

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 BTK 1/4885EGFR 705/4885LCK 3/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885EGFR 705/4885LCK 3/4885

“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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