SCHEMBL25329944

SCHEMBL25329944

N#Cc1ccc(C(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.58
MAPT P10636 4/20 0.44
GRIA1 P42261 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA3 P42263 2/20 0.44
GRIA4 P48058 2/20 0.44
GRM6 O15303 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CTSB P07858 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
SCHEMBL1456042 0.87 VCAM1 (0.58) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16953009 0.84 VCAM1 (0.55) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL404745 0.81 VCAM1 (0.64) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16961784 0.81 VCAM1 (0.55) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16955323 0.80 VCAM1 (0.51) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16959779 0.77 VCAM1 (0.51) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11477482 0.77 VCAM1 (0.68) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL2698568 0.75 ALDH1A1 (0.58) VCAM1MAPTGRM6CYP1A2CYP2C9
SCHEMBL8143514 0.75 VCAM1 (0.66) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL82629 0.75 VCAM1 (0.66) VCAM1MAPTGRIA1GRIA2GRIA3

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 VCAM1 3290/4885MAPT 4344/4885GRIA1 1648/4885
US-20220098207-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CAMK2B, CAMK2A, CAMK2G VCAM1 3099/4885MAPT 2841/4885GRIA1 828/4885
US-20240182474-A1 SUBSTITUTED IMIDAZO [1,2-b] PYRIDAZINES AND [1, 2, 4] TRIAZOLO [ 4,3-b] PYRIDAZINES AS CAMKII INHIBITORS CAMK2B, RYR2, CAMK2A VCAM1 3472/4885MAPT 2976/4885GRIA1 670/4885
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A VCAM1 3472/4885MAPT 2976/4885GRIA1 670/4885

“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.