SCHEMBL19645832

SCHEMBL19645832

C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(Cl)c(N4CCN(C)CC4)c3)nc3[nH]nc(Cl)c23)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.61
JAK3 P52333 6/20 0.52
PAK1 Q13153 1/20 0.50
EGFR P00533 6/20 0.49
JAK2 O60674 2/20 0.48
JAK1 P23458 1/20 0.48
LRRK2 Q5S007 1/20 0.48
BLK P51451 1/20 0.47
BMX P51813 1/20 0.47
SRC P12931 2/20 0.46
CTSC P53634 1/20 0.46
TEC P42680 1/20 0.46
SLK Q9H2G2 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
SCHEMBL19645831 0.93 BTK (0.60) BTKJAK3PAK1EGFRJAK2
SCHEMBL19645826 0.93 BTK (0.60) BTKJAK3PAK1EGFRJAK2
SCHEMBL17359437 0.92 BTK (0.60) BTKJAK3PAK1EGFRJAK2
SCHEMBL19645828 0.91 BTK (0.58) BTKJAK3PAK1EGFRJAK2
SCHEMBL17071369 0.91 BTK (0.63) BTKJAK3EGFRJAK2JAK1
SCHEMBL17071368 0.90 BTK (0.66) BTKJAK3EGFRJAK2JAK1
SCHEMBL19645821 0.88 BTK (0.79) BTKJAK3PAK1EGFRJAK2
SCHEMBL17071262 0.88 BTK (0.48) BTKJAK3PAK1EGFRSRC
SCHEMBL17359433 0.88 BTK (0.56) BTKJAK3PAK1EGFRJAK2
SCHEMBL22213221 0.86 BTK (0.52) BTKJAK3PAK1EGFRJAK2

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 1/4885JAK3 58/4885PAK1 204/4885

“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.