SCHEMBL19645802

SCHEMBL19645802

C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(Cl)c(N4CCOCC4)c3)ncc2C#N)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.71
JAK3 P52333 4/20 0.55
JAK2 O60674 2/20 0.54
JAK1 P23458 2/20 0.54
TYK2 P29597 1/20 0.54
TTK P33981 1/20 0.54
EGFR P00533 5/20 0.54
CDK1 P06493 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL19645800 0.92 BTK (0.70) BTKJAK3JAK2JAK1TYK2
SCHEMBL19645798 0.91 BTK (0.70) BTKJAK3JAK2JAK1TYK2
SCHEMBL17071433 0.91 BTK (0.85) BTKJAK3JAK2JAK1TYK2
SCHEMBL17071380 0.90 BTK (0.60) BTKJAK3JAK2JAK1TYK2
SCHEMBL17071546 0.89 BTK (0.62) BTKJAK3JAK2JAK1TYK2
SCHEMBL17071696 0.89 BTK (0.80) BTKJAK3JAK2JAK1TYK2
SCHEMBL19645886 0.88 BTK (0.69) BTKJAK3JAK2JAK1TYK2
SCHEMBL17071401 0.88 BTK (0.59) BTKJAK3JAK2JAK1TYK2
SCHEMBL17071752 0.87 BTK (0.72) BTKJAK3JAK2JAK1TYK2
SCHEMBL17071416 0.87 BTK (0.79) BTKJAK3JAK2JAK1TYK2

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
EP-3680238-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS University of Utah Research Foundation (US) 2020-07-15 EP disclosed
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2018-05-17 US disclosed
US-9828376-B2 Substituted N-(3-pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-11-28 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-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885JAK3 58/4885JAK2 20/4885

“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.