SCHEMBL19976710

SCHEMBL19976710

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(NC)cc3)ncc2OC)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.69
JAK3 P52333 2/20 0.69
EGFR P00533 15/20 0.68
ITK Q08881 5/20 0.67

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
SCHEMBL21338050 0.92 BTK (0.68) BTKJAK3EGFRITK
SCHEMBL12519542 0.92 EGFR (0.79) BTKJAK3EGFRITK
SCHEMBL21338057 0.91 EGFR (0.72) BTKJAK3EGFRITK
SCHEMBL12519536 0.90 EGFR (0.82) BTKJAK3EGFRITK
SCHEMBL21338051 0.89 ITK (0.68) BTKJAK3EGFRITK
SCHEMBL30672892 0.88 EGFR (0.65) BTKJAK3EGFRITK
SCHEMBL16370821 0.88 EGFR (0.65) BTKJAK3EGFRITK
SCHEMBL16706331 0.86 BTK (0.62) BTKJAK3EGFRITK
SCHEMBL16706325 0.86 BTK (0.61) BTKJAK3EGFRITK
SCHEMBL16372156 0.86 EGFR (0.81) BTKJAK3EGFRITK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof ACEA Therapeutics, Inc. (US) 2021-10-07 US disclosed
WO-2020029156-A1 PROCESS FOR MANUFACTURE OF (S)-N-(3-((2-((4-((1-ACETYLPYRROLIDIN-3-YL)(METHYL)AMINO)PHENYL)AMINO)-5-METHOXYPYRIMIDIN-4-YL)OXY) PHENYL)ACRYLAMIDE, AND FORMULATIONS THEREOF ACEA Therapeutics, Inc. (US) 2020-02-13 WO disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 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-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof BMX, ITK, BLK BTK 4/4885JAK3 8/4885EGFR 19/4885

“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.