SCHEMBL23925574

SCHEMBL23925574

NNc1ncc([N+](=O)[O-])cc1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 1/20 0.43
AHR P35869 1/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.40
GLA P06280 3/20 0.39
MAPT P10636 1/20 0.37
NQO2 P16083 1/20 0.36
KAT2B Q92831 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 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
SCHEMBL14909529 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4AHRGAAHTT
SCHEMBL23108354 0.81 IDO1 (0.44) ALDH1A1CYP3A4AHRGAAHTT
SCHEMBL7416178 0.81 AHR (0.55) ALDH1A1CYP3A4AHRGAAHTT
SCHEMBL16244085 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4AHRGAAHTT
SCHEMBL23580255 0.79 ALDH1A1 (0.47) ALDH1A1AHRGAAHTTTDP1
SCHEMBL31646026 0.79 MEN1 (0.43) ALDH1A1AHRGAAHTTTDP1
SCHEMBL914646 0.78 GAA (0.54) ALDH1A1GAAHTTTDP1GLA
Hydrazine SCHEMBL16740536 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4AHRGAAHTT
SCHEMBL26694510 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4HTTIDO1GLA
SCHEMBL914310 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4HTTTDP1IDO1

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
WO-2025064565-A1 TRICYCLIC BENZOTHIAZOLES FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2025-03-27 WO disclosed
CN-118480039-A KIF18A inhibitor and preparation method and application thereof 南京同诺康医药科技有限公司 2024-08-13 CN disclosed
US-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-116194445-A New compounds 詹森药业有限公司 2023-05-30 CN disclosed
EP-4157823-A1 COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-04-05 EP disclosed
EP-4135843-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN Pharmaceutica NV (BE) 2023-02-22 EP disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed
CN-115427110-A Pyrazolo [1,5-D ] [1,2,4] triazine-5 (4H) acetamide as an NLRP3 inflammatory pathway inhibitor 詹森药业有限公司 2022-12-02 CN disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 WO disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO disclosed
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 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 (3 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B ALDH1A1 1603/4885CYP3A4 490/4885AHR 1137/4885
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 ALDH1A1 268/4885CYP3A4 719/4885AHR 217/4885
US-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD ALDH1A1 1954/4885CYP3A4 1419/4885AHR 1562/4885

“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.