SCHEMBL4194787

SCHEMBL4194787

O=S(=O)(CCN1CCCC1)N1CC[CH]CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
ALOX15 P16050 1/20 0.38
LOX P28300 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4205217 0.98 PARP1 (0.41) PARP1ALOX15LOXMAPTKMT2A
SCHEMBL4203206 0.96 PARP1 (0.36) PARP1ALOX15LOXMAPTKMT2A
SCHEMBL4354178 0.89 SMYD3 (0.41) ALOX15LOXSMN1; SMN2SMYD3HRH3
SCHEMBL4202177 0.87 HRH3 (0.42) ALOX15LOXSMN1; SMN2SMYD3HRH3
SCHEMBL4354111 0.85 KMT2A (0.43) PARP1MAPTKMT2A
SCHEMBL4347961 0.85 LMNA (0.33) PARP1ALOX15LOX
SCHEMBL4207692 0.85 SMYD3 (0.39) ALOX15LOXSMN1; SMN2SMYD3HRH3
SCHEMBL4199475 0.85 L3MBTL1 (0.38) ALOX15MAPTSMN1; SMN2
SCHEMBL4196394 0.84 PIK3CD (0.34)
SCHEMBL4201719 0.84 MEN1 (0.47) MAPTKMT2ASMN1; SMN2

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 PARP1 866/4885ALOX15 2851/4885LOX 3010/4885

“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.