SCHEMBL4361092

SCHEMBL4361092

CC(O)CNCCCS(=O)(=O)N1CC[CH]CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4189038 0.79 SMYD3 (0.35) SMYD3ALDH1A1MAPTMEN1KMT2A
SCHEMBL4353941 0.77 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL4207799 0.77 SMYD3 (0.39) SMYD3ALDH1A1MAPTKDM4ELMNA
SCHEMBL4196695 0.75 MAPT (0.41) CA2SMYD3ALDH1A1MAPTKDM4E
SCHEMBL4505046 0.74 SMYD3 (0.40) SMYD3
SCHEMBL4508649 0.74 SMYD3 (0.38) SMYD3
SCHEMBL4507128 0.73 LMNA (0.43) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL4206561 0.72 OPRM1 (0.35) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4204033 0.71
SCHEMBL918439 0.71 KMT2A (0.38) CA2ALDH1A1KDM4EGAATDP1

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 CA2 2615/4885SMYD3 4052/4885ALDH1A1 537/4885

“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.