SCHEMBL17027328

SCHEMBL17027328

Cc1nn(C2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
LRRK2 Q5S007 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
TXNRD1 Q16881 1/20 0.35
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL25018637 0.91 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL20652286 0.88 ALDH1A1 (0.38) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30267448 0.86 KMT2A (0.40) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4561604 0.86 ALDH1A1 (0.35) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16985306 0.85 MAPT (0.33) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22648246 0.84 IRAK4 (0.34) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15995826 0.84 CCNE1 (0.39) MAPTGAALMNA
SCHEMBL17610338 0.84 TLR8 (0.39) ALDH1A1
Hydrochloric Acid SCHEMBL31254154 0.82 TLR8 (0.39) ALDH1A1CYP1A2CYP2C19
SCHEMBL20640670 0.82 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
EP-4522607-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-kB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 US disclosed
WO-2015123722-A1 INHIBITORS BIONOMICS LIMITED (AU) 2015-08-27 WO disclosed
WO-2015123722-A1 INHIBITORS BIONOMICS LIMITED (AU) 2015-08-27 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-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB MAPT 3296/4885ALDH1A1 4221/4885CYP1A2 4324/4885
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT MAPT 3/4885ALDH1A1 3433/4885CYP1A2 3151/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA MAPT 5/4885ALDH1A1 3312/4885CYP1A2 3146/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT MAPT 3/4885ALDH1A1 3433/4885CYP1A2 3151/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 MAPT 4719/4885ALDH1A1 1591/4885CYP1A2 2440/4885

“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.