SCHEMBL16698136

SCHEMBL16698136

CC(=O)N1CCC(N(C)c2ccc(N)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.44
GFER P55789 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.41
MAP4K4 O95819 1/20 0.41
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
CACNA1B Q00975 1/20 0.39
MCHR1 Q99705 3/20 0.38
NPY5R Q15761 2/20 0.38
PGR P06401 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
BTK Q06187 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
KCNH2 Q12809 1/20 0.36
VNN1 O95497 1/20 0.35

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
SCHEMBL16698134 1.00 CASP6 (0.44) CASP6GFERL3MBTL3MAP4K4JAK2
SCHEMBL16391135 1.00 CASP6 (0.44) CASP6GFERL3MBTL3MAP4K4JAK2
SCHEMBL16698451 0.81 ALDH1A1 (0.48)
SCHEMBL16391138 0.81 ALDH1A1 (0.48)
SCHEMBL16698452 0.81 ALDH1A1 (0.48)
SCHEMBL3565009 0.77 CTSL (0.40) GFERJAK2JAK1MCHR1PGR
SCHEMBL25356633 0.77 KDM1A (0.48) L3MBTL3MAP4K4NPY5R
SCHEMBL25965347 0.76 OPRD1 (0.43) L3MBTL3NPY5R
SCHEMBL21338081 0.74 JAK2 (0.51) JAK2JAK1NPY5RPGRCYP2D6
SCHEMBL16697868 0.74 JAK2 (0.51) JAK2JAK1NPY5RPGRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358895-B2 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) 2025-07-15 US disclosed
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
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 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 (6 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-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK CASP6 2400/4885GFER 2806/4885L3MBTL3 3700/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK CASP6 2400/4885GFER 2806/4885L3MBTL3 3700/4885
US-12358895-B2 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 CASP6 3522/4885GFER 2649/4885L3MBTL3 2732/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK CASP6 2400/4885GFER 2806/4885L3MBTL3 3700/4885
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 CASP6 3522/4885GFER 2649/4885L3MBTL3 2732/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK CASP6 2400/4885GFER 2806/4885L3MBTL3 3700/4885

“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.