SCHEMBL25330816

SCHEMBL25330816

N#Cc1c(C(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 7/20 0.40
S100A4 P26447 2/20 0.40
GPR35 Q9HC97 2/20 0.40
HPGD P15428 1/20 0.40
PTPRC P08575 1/20 0.40
CYP1A2 P05177 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CUL4A Q13619 1/20 0.36
VCAM1 P19320 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL8388492 0.83 TDP1 (0.44) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL618153 0.82 TDP1 (0.54) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL16958018 0.81 TDP1 (0.42) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL16959043 0.80 ALDH1A1 (0.39) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL16960563 0.80 TDP1 (0.38) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL1850626 0.77 ALDH1A1 (0.47) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL16957948 0.77 RAB9A (0.39) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL969312 0.76 ALDH1A1 (0.40) TDP1ALDH1A1S100A4GPR35HPGD
SCHEMBL10686074 0.76 CYP1A2 (0.53) TDP1ALDH1A1S100A4GPR35PTPRC
SCHEMBL29746197 0.76 CYP1A2 (0.53) TDP1ALDH1A1S100A4GPR35PTPRC

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 7 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
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 TDP1 3747/4885ALDH1A1 1793/4885S100A4 4112/4885
US-20220098207-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CAMK2B, CAMK2A, CAMK2G TDP1 3202/4885ALDH1A1 2388/4885S100A4 3586/4885
US-20240182474-A1 SUBSTITUTED IMIDAZO [1,2-b] PYRIDAZINES AND [1, 2, 4] TRIAZOLO [ 4,3-b] PYRIDAZINES AS CAMKII INHIBITORS CAMK2B, RYR2, CAMK2A TDP1 2855/4885ALDH1A1 1868/4885S100A4 2805/4885
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A TDP1 2855/4885ALDH1A1 1868/4885S100A4 2805/4885

“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.