SCHEMBL13977135

SCHEMBL13977135

CN(C)C(=O)C(C#N)=Cc1cccc(-c2cnc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.58
▸ SRC P12931 3/20 0.44
▸ JAK3 P52333 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL13860010 1.00 BTK (0.58) BTKSRCJAK3ATM
SCHEMBL6116531 0.82 BTK (0.61) BTK
SCHEMBL13860031 0.82 BTK (0.63) BTK
SCHEMBL6116126 0.78 BTK (0.66) BTK
SCHEMBL13860029 0.77 BTK (0.53) BTKSRCJAK3ATM
SCHEMBL13860028 0.77 BTK (0.53) BTKSRCJAK3ATM
SCHEMBL13860202 0.77 BTK (0.56) BTKSRCATM
SCHEMBL13860201 0.77 BTK (0.56) BTKSRCATM
SCHEMBL8402401 0.77 BTK (0.77) BTK
SCHEMBL13860009 0.76 BTK (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107151-A1 TYROSINE KINASE INHIBITORS Principia Biophama Inc. (US) 2014-04-17 — — US disclosed
US-20140107151-A1 TYROSINE KINASE INHIBITORS Principia Biophama Inc. (US) 2014-04-17 — — US disclosed
WO-2012158810-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 — — WO 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-20140107151-A1 TYROSINE KINASE INHIBITORS BMX, BLK, ITK BTK 4/4885SRC 20/4885JAK3 8/4885

“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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