SCHEMBL25950639

SCHEMBL25950639

CC(C)(C)c1cnc(NCC2CCCOC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ SCN5A Q14524 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PIK3CD O00329 3/20 0.36
▸ PIK3CB P42338 3/20 0.36
▸ PIK3CG P48736 3/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ CCNT1 O60563 3/20 0.36
▸ GRIN2B Q13224 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ VNN1 O95497 1/20 0.33

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
SCHEMBL24104371 0.92 VNN1 (0.38) IRAK1MAPK1CLK1CLK2CLK3
SCHEMBL24104383 0.83 KCNH3 (0.45) IRAK1MAPK1CCNT1GRIN2BVNN1
SCHEMBL14667083 0.81 GRIN2B (0.43) GRIN2BCDK2VNN1
SCHEMBL22680868 0.78 CNR2 (0.41) IRAK1MAPK1CLK1CLK2CLK3
SCHEMBL12459209 0.78 ALDH1A1 (0.51) MAPK1
SCHEMBL12412569 0.74 EP300 (0.46) GRIN2BCDK2
SCHEMBL25950638 0.74 VNN1 (0.46) IRAK1GRIN2BCDK2VNN1
SCHEMBL25950641 0.74 ALDH1A1 (0.47) MAPK1BRAF
SCHEMBL15943683 0.70 SMN1; SMN2 (0.47) IRAK1CLK1CLK2CLK3DYRK1A
SCHEMBL25950539 0.70 MAPK1 (0.55) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 — — US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 — — US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 — — US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 — — 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 (2 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B IRAK1 4331/4885MAPK1 2324/4885CLK1 4383/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B IRAK1 4331/4885MAPK1 2324/4885CLK1 4383/4885

“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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