SCHEMBL30279151

SCHEMBL30279151

CC(C)(C)c1ccc(NC2CCC(N)CC2)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.38
CDK2 P24941 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
GSK3B P49841 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
SLC22A12 Q96S37 1/20 0.34
DPP4 P27487 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
CNR2 P34972 2/20 0.33
TRPA1 O75762 1/20 0.33
KDM1A O60341 2/20 0.32
MAOB P27338 2/20 0.32
CDK1 P06493 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 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
SCHEMBL25039462 1.00 CHEK1 (0.38) CHEK1CDK2IRAK4GSK3BMAPKAPK2
SCHEMBL25039410 0.80 KIT (0.40) CHEK1CDK2IRAK4NR1H4CNR2
SCHEMBL25040034 0.79 NR1H4 (0.44) CDK2GSK3BMAPKAPK2NR1H4CNR2
SCHEMBL25042151 0.79 ROCK2 (0.40) CDK2GSK3BMAPKAPK2NR1H4CNR2
SCHEMBL29666012 0.78 TRPA1 (0.53) CHEK1SLC22A12CNR2TRPA1
SCHEMBL25039261 0.77 SMYD3 (0.41) CHEK1NR1H4CNR2KITFLT3
SCHEMBL25905013 0.76 HDAC8 (0.48) CDK2IRAK4MAPKAPK2SLC22A12DPP4
SCHEMBL30279117 0.73 CDK2 (0.38) CHEK1CDK2IRAK4GSK3BMAPKAPK2
SCHEMBL25041348 0.73 CDK2 (0.38) CHEK1CDK2IRAK4GSK3BMAPKAPK2
SCHEMBL17948894 0.73 PRKCQ (0.48) SLC22A12CNR2TRPA1

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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 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 (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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 CHEK1 1757/4885CDK2 3735/4885IRAK4 1615/4885

“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.