SCHEMBL19645792

SCHEMBL19645792

C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(OC)c(N4CCN(C)CC4)c3)nc3[nH]ncc23)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.77
PAK1 Q13153 1/20 0.52
EGFR P00533 11/20 0.52
JAK3 P52333 4/20 0.50
JAK2 O60674 3/20 0.50
JAK1 P23458 3/20 0.50
LRRK2 Q5S007 1/20 0.50
KCNH2 Q12809 1/20 0.48
SRC P12931 1/20 0.47
TEC P42680 1/20 0.47
SLK Q9H2G2 1/20 0.47

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
SCHEMBL17071670 0.92 BTK (0.78) BTKEGFRJAK3JAK2JAK1
SCHEMBL17071457 0.92 BTK (0.73) BTKPAK1EGFRJAK3JAK2
SCHEMBL17071456 0.90 BTK (0.80) BTKPAK1EGFRJAK3JAK2
SCHEMBL19645820 0.90 BTK (0.79) BTKEGFRJAK3JAK2JAK1
SCHEMBL19645821 0.90 BTK (0.79) BTKPAK1EGFRJAK3JAK2
SCHEMBL17359453 0.89 BTK (0.80) BTKPAK1EGFRJAK3JAK2
SCHEMBL17071455 0.89 BTK (0.69) BTKPAK1EGFRJAK3JAK2
SCHEMBL17071540 0.88 BTK (0.60) BTKPAK1EGFRJAK3
SCHEMBL19645833 0.88 BTK (0.59) BTKPAK1EGFRJAK3JAK2
SCHEMBL19645730 0.88 BTK (0.59) BTKEGFRJAK3JAK2JAK1

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-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 1/4885PAK1 204/4885EGFR 323/4885

“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.