SCHEMBL17071697

SCHEMBL17071697

C=CC(=O)Nc1ccc(F)c(-c2nc(Nc3cccc(N4CCOCC4)c3)ncc2F)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.63
EGFR P00533 7/20 0.60
FLT3 P36888 1/20 0.60
BLK P51451 1/20 0.60
JAK3 P52333 4/20 0.57
JAK2 O60674 2/20 0.57
JAK1 P23458 2/20 0.57
TYK2 P29597 1/20 0.57
CCNT1 O60563 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK9 P50750 1/20 0.56
TTK P33981 1/20 0.56
ITK Q08881 1/20 0.55

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
SCHEMBL17071732 0.93 BTK (0.67) BTKEGFRFLT3BLKJAK3
SCHEMBL17071523 0.93 BTK (0.72) BTKEGFRFLT3BLKJAK3
SCHEMBL17071355 0.92 BTK (0.64) BTKEGFRFLT3BLKJAK3
SCHEMBL17071491 0.91 EGFR (0.61) BTKEGFRFLT3BLKJAK3
SCHEMBL17071710 0.91 BTK (0.61) BTKEGFRFLT3BLKJAK3
SCHEMBL19645887 0.91 BTK (0.58) BTKEGFRFLT3BLKJAK3
SCHEMBL17071694 0.91 BTK (0.58) BTKEGFRFLT3BLKJAK3
SCHEMBL17071409 0.91 BTK (0.58) BTKEGFRFLT3BLKJAK3
SCHEMBL17071698 0.91 BTK (0.62) BTKEGFRFLT3BLKJAK3
SCHEMBL17071722 0.90 BTK (0.57) BTKEGFRFLT3BLKJAK3

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-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
US-20150252048-A1 SUBSTITUTED N-(3-PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH 2015-09-10 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-20150252048-A1 SUBSTITUTED N-(3-PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885EGFR 294/4885FLT3 10/4885
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN BTK 1/4885EGFR 323/4885FLT3 10/4885

“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.