SCHEMBL26596830

SCHEMBL26596830

CC(C)c1c(C#N)ccc(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ GAA P10253 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BRPF1 P55201 4/20 0.35
▸ BRD1 O95696 2/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ BRD9 Q9H8M2 2/20 0.34
▸ BRPF3 Q9ULD4 1/20 0.34
▸ KDM5A P29375 4/20 0.33
▸ GLA P06280 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ AR P10275 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ UPP1 Q16831 1/20 0.32

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
SCHEMBL15797658 0.73 KDM4E (0.47) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL26596827 0.70 FAAH (0.33) MEN1KMT2ABRPF1BRD1BRD4
SCHEMBL15804098 0.70 BRPF1 (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL30903880 0.66 ALDH1A1 (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL31575236 0.66 KDM4E (0.35) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL27238839 0.66 ALDH1A1 (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL25778228 0.66 YTHDF2 (0.35) BRPF1BRD4BRD9CA12CA9
SCHEMBL15804100 0.65 BRPF1 (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL23900598 0.63 KDM4E (0.53) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL11307956 0.63 KDM4E (0.53) KDM4EALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A KDM4E 3921/4885ALDH1A1 1868/4885GAA 4467/4885

“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.

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