SCHEMBL4491512

SCHEMBL4491512

CN(C)CCS(=O)(=O)N1C[C@H]2[CH][C@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL4511299 0.89 IKBKB (0.33) IKBKBSMYD3
SCHEMBL4507280 0.72 IKBKB (0.33) IKBKBKDM4E
SCHEMBL13993533 0.70 KDM4E (0.45) IKBKBKDM4E
SCHEMBL3549851 0.69 PIK3CD (0.32) IKBKBKDM4E
SCHEMBL2422835 0.69 IKBKB (0.39) IKBKBKDM4E
SCHEMBL4506004 0.69 HRH3 (0.31)
SCHEMBL4504695 0.69 PARP1 (0.38) SMYD3
SCHEMBL477419 0.68 KMT2A (0.41) IKBKBKDM4E
SCHEMBL22600426 0.68 LMNA (0.47) KDM4E
SCHEMBL4515458 0.67 SMYD3 (0.40) IKBKBSMYD3

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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 IKBKB 172/4885KDM4E 1663/4885SMYD3 4052/4885

“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.