SCHEMBL4511299

SCHEMBL4511299

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
ENPP2 Q13822 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
BRD4 O60885 1/20 0.31
HTR6 P50406 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
SCHEMBL4491512 0.89 IKBKB (0.31) IKBKBSMYD3
SCHEMBL4199003 0.74 BRD4 (0.36) IKBKBCHUKENPP2SMYD3BRD4
SCHEMBL4500677 0.72 HRH3 (0.31)
SCHEMBL4515458 0.71 SMYD3 (0.40) IKBKBSMYD3
SCHEMBL2423379 0.71 IKBKB (0.39) IKBKBCHUKENPP2SMYD3BRD4
SCHEMBL960858 0.70 KMT2A (0.39) IKBKBCHUKENPP2BRD4
SCHEMBL4511202 0.70 HRH3 (0.39) IKBKBSMYD3
Hydrochloric Acid SCHEMBL2815292 0.69 KMT2A (0.38) IKBKBCHUKBRD4
SCHEMBL4506004 0.67 HRH3 (0.31)
SCHEMBL4504695 0.67 PARP1 (0.38) SMYD3

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 172/4885CHUK 86/4885ENPP2 2726/4885

“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.