SCHEMBL16698451

SCHEMBL16698451

CC(=O)N1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.43
OPRK1 P41145 1/20 0.42
AR P10275 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR5 P51681 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD11B1 P28845 1/20 0.39
MGLL Q99685 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL16391138 1.00 ALDH1A1 (0.48) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL16698452 1.00 ALDH1A1 (0.48) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL28564290 0.90 ALDH1A1 (0.44) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL16698519 0.83 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKMT2A
SCHEMBL16391136 0.83 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKMT2A
SCHEMBL16370671 0.83 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKMT2A
SCHEMBL19024529 0.82 AR (0.45) ALDH1A1MAPTGAAARMAPK1
SCHEMBL16698134 0.81 CASP6 (0.44)
SCHEMBL16391135 0.81 CASP6 (0.44)
SCHEMBL16698136 0.81 CASP6 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 CN 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
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-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-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-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 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-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
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 (5 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 ALDH1A1 4165/4885HPGD 2451/4885MAPT 2803/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK ALDH1A1 4165/4885HPGD 2451/4885MAPT 2803/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK ALDH1A1 4165/4885HPGD 2451/4885MAPT 2803/4885
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 ALDH1A1 3882/4885HPGD 4121/4885MAPT 2914/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK ALDH1A1 4165/4885HPGD 2451/4885MAPT 2803/4885

“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.