SCHEMBL25329697

SCHEMBL25329697

COc1cc(Cl)cc([N+](=O)[O-])c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.47
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
MERTK Q12866 1/20 0.39
CHEK1 O14757 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29472371 0.79 MAPT (0.49) MAPTKMT2AALDH1A1KDM4ECYP3A4
SCHEMBL10983620 0.78 ALDH1A1 (0.47) VCAM1MAPTALDH1A1TDP1KDM4E
SCHEMBL8968361 0.78 VCAM1 (0.54) VCAM1MAPTALDH1A1TDP1ALOX15
SCHEMBL424184 0.78 ALDH1A1 (0.47) MAPTKMT2AALDH1A1TDP1EGFR
SCHEMBL28825199 0.77 ALDH1A1 (0.46) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL7425270 0.76 ALDH1A1 (0.54) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL4018068 0.76 KDM4E (0.47) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL25329734 0.76 ALDH1A1 (0.44) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL6010819 0.76 EGFR (0.54) MAPTKMT2ATDP1EGFRLMNA
SCHEMBL31503810 0.75 TDP1 (0.45) VCAM1MAPTKMT2AALDH1A1TDP1

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 4344/4885KMT2A 3683/4885
US-20220098207-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS CAMK2B, CAMK2A, CAMK2G VCAM1 3099/4885MAPT 2841/4885KMT2A 2068/4885
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 2976/4885KMT2A 2261/4885
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 2976/4885KMT2A 2261/4885

“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.