SCHEMBL4193093

SCHEMBL4193093

N#CC1CCN(CCS(=O)(=O)N2CC[CH]CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
ALOX15 P16050 1/20 0.30
PARP1 P09874 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4357843 0.81 ALOX15 (0.33) GAAALOX15PARP1
SCHEMBL4207922 0.80 CARM1 (0.40) TSHRMAPTALOX15
SCHEMBL4194787 0.77 PARP1 (0.39) TSHRMAPTALOX15PARP1
SCHEMBL4203206 0.77 PARP1 (0.36) TSHRMAPTALOX15PARP1
SCHEMBL4205217 0.76 PARP1 (0.41) GAATSHRMAPTALOX15PARP1
SCHEMBL4199423 0.76 L3MBTL1 (0.34) L3MBTL1
SCHEMBL4195054 0.76 L3MBTL1 (0.34) L3MBTL1
SCHEMBL4207533 0.75 HTR4 (0.41) MAPTALOX15L3MBTL1
SCHEMBL4204997 0.75 ALDH1A1 (0.52) LTA4HGAAALOX15L3MBTL1
SCHEMBL4199475 0.74 L3MBTL1 (0.38) MAPTALOX15L3MBTL1

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 LTA4H 3762/4885GAA 1892/4885TSHR 3954/4885

“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.