SCHEMBL29518366

SCHEMBL29518366

O=[N+]([O-])c1ccc(Br)nc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 2/20 0.38
TXNRD1 Q16881 4/20 0.37
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 4/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
NOS1 P29475 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL40986 1.00 TDP1 (0.38) TDP1TSHRCYP3A4TXNRD1CYP19A1
Methylamine SCHEMBL6028022 0.94 TSHR (0.38) TDP1TSHRCYP3A4TXNRD1ALDH1A1
SCHEMBL31364996 0.81 TDP1 (0.44) TDP1TSHRCYP3A4TXNRD1CYP19A1
SCHEMBL29154637 0.81 GPR35 (0.43) TDP1TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL28029112 0.81 ALDH1A1 (0.37) TDP1TSHRCYP3A4TXNRD1CYP19A1
SCHEMBL14665468 0.79 TDP1 (0.44) TDP1TSHRCYP3A4TXNRD1ALDH1A1
SCHEMBL1582439 0.79 TDP1 (0.42) TDP1TSHRCYP3A4TXNRD1CYP19A1
SCHEMBL31219064 0.79 TXNRD1 (0.50) TDP1TSHRCYP3A4TXNRD1ALDH1A1
SCHEMBL3273393 0.79 TXNRD1 (0.50) TDP1TSHRCYP3A4TXNRD1ALDH1A1
SCHEMBL3040192 0.79 CTSB (0.51) TDP1TSHRCYP3A4ALDH1A1MAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739684-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
EP-4683909-A2 ATM KINASE INHIBITORS Eberhard Karls Universität Tübingen (DE) 2026-01-28 EP disclosed
US-12528816-B2 Substituted imidazo [1,2-b] pyridazines and [1, 2, 4] triazolo [ 4,3-b] pyridazines as camkii inhibitors CARDURION PHARMACEUTICALS, INC. (US) 2026-01-20 US disclosed
WO-2025081045-A9 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-12-26 WO disclosed
WO-2025217330-A1 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-10-16 WO disclosed
CN-115867556-B LPA receptor antagonists and uses thereof 吉利德科学公司 2025-05-06 CN disclosed
WO-2025081045-A1 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-04-17 WO disclosed
CN-119451951-A Compounds for inhibition of KIF18A 沃拉斯查疗法公司 2025-02-14 CN disclosed
WO-2025034613-A1 3H-IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AS NON-COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-02-13 WO disclosed
WO-2025008060-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed
CN-115867539-A 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-28 CN disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed
CN-115701429-A 4- (1H-indole-1-yl) pyrimidine-2-amino derivative and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-02-10 CN disclosed
CN-114957242-A Preparation and application of pyrido-heterocyclic compound as kinase inhibitor 药雅科技(上海)有限公司 2022-08-30 CN disclosed
CN-110642838-B EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2022-08-09 CN disclosed
CN-110642836-B EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2022-08-09 CN disclosed
CN-114437065-A Heterocyclic compounds, their preparation and use 益方生物科技(上海)股份有限公司 2022-05-06 CN disclosed
CN-108602823-B Spiro-condensed pyrrolidine derivatives as Deubiquitinase (DUB) inhibitors 特殊治疗有限公司 2022-04-01 CN disclosed
EP-3972967-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-03-30 EP 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 (1 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-12528816-B2 Substituted imidazo [1,2-b] pyridazines and [1, 2, 4] triazolo [ 4,3-b] pyridazines as camkii inhibitors RYR2, CACNA1C, CAMK4 TDP1 3747/4885TSHR 1324/4885CYP3A4 2634/4885

“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.