SCHEMBL16371014

SCHEMBL16371014

CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
ALDH1A1 P00352 4/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ATM Q13315 1/20 0.39
TLR9 Q9NR96 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
SCHEMBL16371016 1.00 MAPT (0.42) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL16391137 1.00 MAPT (0.42) MAPTL3MBTL1CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL23880673 0.99 MAPT (0.41) MAPTL3MBTL1CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL23880672 0.99 MAPT (0.41) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL27178860 0.91 MAPT (0.44) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL22314755 0.82 MAPT (0.50) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6610076 0.78 ALDH1A1 (0.56) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL28281049 0.77 CA2 (0.47) ALDH1A1SLC6A4SLC6A2MEN1KMT2A
SCHEMBL31142581 0.76 CHEK2 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL3619850 0.76 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CYP2D6

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 19 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
CN-112592334-A Pyrimidine derivatives as kinase inhibitors 艾森生物科学公司 2021-04-02 CN 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
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
EP-3019496-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Biosciences, Inc. (US) 2016-05-18 EP 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
WO-2015006754-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2015-01-15 WO disclosed
WO-2015006754-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2015-01-15 WO 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 MAPT 2803/4885L3MBTL1 3836/4885CYP1A2 3001/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK MAPT 2803/4885L3MBTL1 3836/4885CYP1A2 3001/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK MAPT 2803/4885L3MBTL1 3836/4885CYP1A2 3001/4885
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 MAPT 2914/4885L3MBTL1 3604/4885CYP1A2 2687/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK MAPT 2803/4885L3MBTL1 3836/4885CYP1A2 3001/4885

“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.