SCHEMBL4197542

SCHEMBL4197542

CC(=O)N1CCN(CCS(=O)(=O)N2CC[CH]CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.40
PIK3CD O00329 1/20 0.40
DRD3 P35462 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
THRB P10828 5/20 0.38
KDM1A O60341 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HTR4 Q13639 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL4189189 0.94 LOX (0.47) LOXPIK3CDDRD3CYP1A2TDP1
SCHEMBL4199475 0.82 L3MBTL1 (0.38) PIK3CDCYP1A2L3MBTL1HTR7
SCHEMBL4194787 0.79 PARP1 (0.39) LOXHRH3
SCHEMBL4203206 0.79 PARP1 (0.36) LOX
SCHEMBL4205217 0.77 PARP1 (0.41) LOXHRH3L3MBTL1ALDH1A1
SCHEMBL5482353 0.75 PIK3CD (0.48) LOXPIK3CDDRD3CYP1A2TDP1
SCHEMBL13589512 0.75 PIK3CD (0.48) LOXPIK3CDDRD3CYP1A2TDP1
SCHEMBL4207922 0.75 CARM1 (0.40) TDP1HRH3ALDH1A1HTR7
SCHEMBL4196394 0.74 PIK3CD (0.34) PIK3CDKDM1A
SCHEMBL4201719 0.74 MEN1 (0.47) PIK3CDALDH1A1

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 LOX 3010/4885PIK3CD 533/4885DRD3 4847/4885

“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.