SCHEMBL4354178

SCHEMBL4354178

O=S(=O)(CCCN1CCCC1)N1CC[CH]CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.41
HRH3 Q9Y5N1 5/20 0.39
LOX P28300 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.37
IKBKB O14920 3/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR4 Q13639 2/20 0.35
KCNH2 Q12809 2/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4202177 0.98 HRH3 (0.42) SMYD3HRH3LOXSMN1; SMN2ALOX15
SCHEMBL4207692 0.96 SMYD3 (0.39) SMYD3HRH3LOXSMN1; SMN2ALOX15
SCHEMBL4343696 0.90 SMYD3 (0.37) SMYD3HRH3LOXSMN1; SMN2ALOX15
SCHEMBL4194787 0.89 PARP1 (0.39) SMYD3HRH3LOXSMN1; SMN2ALOX15
SCHEMBL4205217 0.87 PARP1 (0.41) HRH3LOXSMN1; SMN2ALOX15KCNH2
SCHEMBL4195676 0.86 HTR4 (0.38) SMYD3HTR4L3MBTL1
SCHEMBL4203206 0.85 PARP1 (0.36) SMYD3LOXSMN1; SMN2ALOX15
SCHEMBL4190804 0.85 ALDH1A1 (0.39) SMYD3HRH3SMN1; SMN2MAPK1HTR4
SCHEMBL4195076 0.85 KMT2A (0.42) HRH3SMN1; SMN2IKBKBHTR4
SCHEMBL4505037 0.77 PAOX (0.36) HRH3HTR4L3MBTL1

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 5 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
CN-101500569-A HIF hydroxylase inhibitors for treatment of anemia of cancer FIBROGEN INC (US) 2009-08-05 CN disclosed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN 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 SMYD3 4052/4885HRH3 3450/4885LOX 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.