SCHEMBL4189189

SCHEMBL4189189

CC(=O)N1CCCN(CCS(=O)(=O)N2CC[CH]CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.47
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 2/20 0.38
DRD3 P35462 1/20 0.36
PIK3CD O00329 1/20 0.36
THRB P10828 4/20 0.36
ALOX15 P16050 1/20 0.36
KDM1A O60341 1/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR4 Q13639 1/20 0.34

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
SCHEMBL4197542 0.94 LOX (0.40) LOXHRH3DRD3PIK3CDTHRB
SCHEMBL4203206 0.84 PARP1 (0.36) LOXALOX15
SCHEMBL4194787 0.81 PARP1 (0.39) LOXSIGMAR1HRH3ALOX15
SCHEMBL4205217 0.79 PARP1 (0.41) LOXSIGMAR1HRH3ALOX15L3MBTL1
SCHEMBL4199475 0.78 L3MBTL1 (0.38) PIK3CDALOX15CYP1A2L3MBTL1
SCHEMBL4207692 0.75 SMYD3 (0.39) LOXHRH3ALOX15CYP1A2L3MBTL1
SCHEMBL4347961 0.71 LMNA (0.33) LOXPIK3CDALOX15
SCHEMBL4354111 0.71 KMT2A (0.43) PIK3CD
SCHEMBL4354178 0.71 SMYD3 (0.41) LOXHRH3ALOX15CYP1A2L3MBTL1
SCHEMBL13589512 0.71 PIK3CD (0.48) LOXSIGMAR1HRH3DRD3PIK3CD

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 3010/4885SIGMAR1 4720/4885HRH3 3450/4885

“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.