SCHEMBL3220158

SCHEMBL3220158

O=S(=O)(CCN1CCCC1)NC1CC[CH]CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
KDM1A O60341 2/20 0.34
RAD52 P43351 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 4/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
HTR7 P34969 3/20 0.32
SMYD3 Q9H7B4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 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
SCHEMBL3225680 0.92 ALOX15 (0.34) ALOX15KDM1ARAD52TP53CYP1A2
SCHEMBL3218271 0.91 SMYD3 (0.35) RAD52TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3218711 0.86 KDM1A (0.33) ALOX15KDM1ARAD52TP53CYP1A2
SCHEMBL3225086 0.78 HRH3 (0.35) RAD52TP53CYP1A2CYP3A4CYP2D6
SCHEMBL26071651 0.74 PSEN1 (0.44) HTR1ADRD2HTR2ADRD3
SCHEMBL5596703 0.71 SMYD3 (0.39) SMN1; SMN2DRD2HTR2ADRD3SMYD3
SCHEMBL3218381 0.68 SIGMAR1 (0.55) SMN1; SMN2SMYD3MAPT
SCHEMBL12744445 0.67 CARM1 (0.46) ALOX15KDM1ACYP3A4CYP2D6TSHR
SCHEMBL4194787 0.67 PARP1 (0.39) ALOX15TSHRSMN1; SMN2SMYD3HRH3
SCHEMBL12744429 0.66 CARM1 (0.45) ALOX15KDM1ACYP2D6SMN1; SMN2HRH3

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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US disclosed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP disclosed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 ALOX15 1967/4885KDM1A 3518/4885RAD52 1086/4885

“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.