SCHEMBL4196587

SCHEMBL4196587

CC(C)(C)OC(=O)N1CCC(NC(=N)N)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
HSD11B1 P28845 5/20 0.51
CYP2C9 P11712 1/20 0.51
USP30 Q70CQ3 8/20 0.51
PARP1 P09874 1/20 0.49
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL10205689 0.92 USP30 (0.54) EPHX1HSD11B1CYP2C9USP30PARP1
SCHEMBL23602645 0.92 USP30 (0.54) EPHX1HSD11B1CYP2C9USP30PARP1
SCHEMBL10165886 0.92 USP30 (0.54) EPHX1HSD11B1CYP2C9USP30PARP1
SCHEMBL10165816 0.91 EPHX1 (0.65) EPHX1PARP1HDAC4ALDH1A1
SCHEMBL4500835 0.91 EPHX1 (0.54) EPHX1HSD11B1CYP2C9USP30PARP1
Hydrochloric Acid SCHEMBL2490701 0.91 USP30 (0.53) EPHX1HSD11B1CYP2C9USP30PARP1
Hydrochloric Acid SCHEMBL2490699 0.91 USP30 (0.53) EPHX1HSD11B1CYP2C9USP30PARP1
Hydrochloric Acid SCHEMBL538324 0.90 EPHX1 (0.63) EPHX1PARP1HDAC4ALDH1A1
SCHEMBL12072636 0.88 EPHX1 (0.57) EPHX1HSD11B1CYP2C9USP30PARP1
SCHEMBL15655102 0.88 EPHX1 (0.57) EPHX1HSD11B1CYP2C9USP30PARP1

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 3 patents. 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
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 EPHX1 1627/4885HSD11B1 3047/4885CYP2C9 2394/4885

“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.