SCHEMBL25329112

SCHEMBL25329112

O=[N+]([O-])c1cc(C(F)F)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP2D6 P10635 2/20 0.46
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 3/20 0.38
CTSB P07858 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT6 P42226 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37

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
SCHEMBL9138871 0.85 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTKDM4ECYP3A4
SCHEMBL1455781 0.85 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTKDM4ECYP3A4
SCHEMBL28034390 0.82 ALDH1A1 (0.51) ALDH1A1CYP2D6MAPTKDM4EMAPK1
SCHEMBL16957062 0.82 ALDH1A1 (0.47) ALDH1A1CYP2D6MAPTKDM4ECYP3A4
SCHEMBL25247784 0.81 ALDH1A1 (0.46) ALDH1A1CYP2D6MAPTKDM4ECYP3A4
SCHEMBL27745058 0.81 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTKDM4EMAPK1
SCHEMBL18458413 0.80 ALDH1A1 (0.49) ALDH1A1CYP2D6MEN1LMNAKMT2A
SCHEMBL31554116 0.80 ALDH1A1 (0.45) ALDH1A1CYP2D6MAPTKDM4ECYP3A4
SCHEMBL27745062 0.80 ALDH1A1 (0.45) ALDH1A1CYP2D6MAPTKDM4ECYP3A4
SCHEMBL2698568 0.79 ALDH1A1 (0.58) ALDH1A1CYP2D6MAPTCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2025106383-A1 PYRROLIDINYL DERIVATIVES USEFUL AS HCN1/HCN 2 MODULATORS MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
US-20240182474-A1 SUBSTITUTED IMIDAZO [1,2-b] PYRIDAZINES AND [1, 2, 4] TRIAZOLO [ 4,3-b] PYRIDAZINES AS CAMKII INHIBITORS CARDURION PHARMACEUTICALS, INC. 2024-06-06 US disclosed
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CARDURION PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
CN-116940354-A Fused heteroaryl compounds and their use as CaMKII inhibitors 卡都瑞恩医药股份有限公司 2023-10-24 CN disclosed
EP-4216948-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS Cardurion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
US-20220098207-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CARDURION PHARMACEUTICALS, INC. 2022-03-31 US disclosed
WO-2022067082-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CARDURION PHARMACEUTICALS, LLC (US) 2022-03-31 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 (4 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 ALDH1A1 1793/4885CYP2D6 652/4885MAPT 4344/4885
US-20220098207-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CAMK2B, CAMK2A, CAMK2G ALDH1A1 2388/4885CYP2D6 856/4885MAPT 2841/4885
US-20240182474-A1 SUBSTITUTED IMIDAZO [1,2-b] PYRIDAZINES AND [1, 2, 4] TRIAZOLO [ 4,3-b] PYRIDAZINES AS CAMKII INHIBITORS CAMK2B, RYR2, CAMK2A ALDH1A1 1868/4885CYP2D6 1121/4885MAPT 2976/4885
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A ALDH1A1 1868/4885CYP2D6 1121/4885MAPT 2976/4885

“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.