SCHEMBL17320669

SCHEMBL17320669

C/C=C(\C#N)C(=O)NCn1nc(-c2ccccc2)c2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.58
▸ FYN P06241 4/20 0.52
▸ EGFR P00533 3/20 0.49
▸ LCK P06239 2/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ ITK Q08881 2/20 0.49
▸ SRC P12931 5/20 0.48
▸ ABL1 P00519 1/20 0.46

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
SCHEMBL15826974 0.87 FYN (0.54) BTKFYNEGFRLCKJAK3
SCHEMBL15826973 0.81 FYN (0.57) BTKFYNEGFRLCKJAK3
SCHEMBL16285723 0.77 BTK (0.64) BTKEGFRLCKJAK3ITK
SCHEMBL14471386 0.75 PIK3CD (0.63) BTKFYNEGFRSRCABL1
SCHEMBL13183365 0.74 SRC (0.57) BTKFYNEGFRLCKJAK3
SCHEMBL13860104 0.74 BTK (1.00) BTKEGFRLCKJAK3ITK
SCHEMBL13860105 0.74 BTK (1.00) BTKEGFRLCKJAK3ITK
SCHEMBL15826968 0.73 PIK3CD (0.73) BTKFYNEGFRSRCABL1
SCHEMBL13860158 0.73 BTK (1.00) BTK
SCHEMBL13860157 0.73 BTK (1.00) BTK

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-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 — — US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885FYN 28/4885EGFR 21/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 BTK 156/4885FYN 891/4885EGFR 3358/4885

“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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