SCHEMBL4023030

SCHEMBL4023030

CC(=O)c1cn(C2CCC2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.36
CLK2 P49760 3/20 0.34
LRRK2 Q5S007 3/20 0.34
CNR1 P21554 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACHE P22303 3/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 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
SCHEMBL6610524 0.77 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL6610526 0.77 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL24785692 0.71 PSMB8 (0.51) CLK2LRRK2ACHEPSMB8PSMB5
Hydrochloric Acid SCHEMBL23389315 0.70 ALDH1A1 (0.38) WDR5CLK2LRRK2ALDH1A1
SCHEMBL23389275 0.69 ALDH1A1 (0.49) WDR5ALDH1A1KMT2A
SCHEMBL8812476 0.69 SMN1; SMN2 (0.35) L3MBTL1ALDH1A1KMT2A
SCHEMBL17065298 0.68 HRH3 (0.36) WDR5CLK2LRRK2HRH3ACHE
SCHEMBL25522267 0.68 MAP3K12 (0.36) WDR5L3MBTL1ACHE
SCHEMBL27881458 0.67 WDR5 (0.33) WDR5
Hydrochloric Acid SCHEMBL23389256 0.67 ALDH1A1 (0.41) WDR5CLK2LRRK2GAAALDH1A1

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
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-7485638-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-20050256311-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-17 US 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-20050256311-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 WDR5 2044/4885CLK2 2967/4885LRRK2 3976/4885

“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.