SCHEMBL4199003

SCHEMBL4199003

CN(C)CCCS(=O)(=O)N1CC[CH]CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
ENPP2 Q13822 3/20 0.32
HTR6 P50406 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
LMNA P02545 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2B P18089 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4507280 0.89 IKBKB (0.33) IKBKBPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4203149 0.85
SCHEMBL4202856 0.85 CYP2D6 (0.32) IKBKBCHUKL3MBTL1LMNA
SCHEMBL4197849 0.83 LMNA (0.43) IKBKBL3MBTL1LMNATSHR
SCHEMBL4207795 0.82 TSHR (0.34) BRD4IKBKBCHUKSMYD3ALDH1A1
SCHEMBL27770152 0.82
SCHEMBL4508646 0.81 TSHR (0.33) BRD4IKBKBCHUKSMYD3KMT2A
SCHEMBL4203232 0.80 ALDH1A1 (0.33) BRD4IKBKBCHUKALDH1A1
SCHEMBL4505043 0.80 TSHR (0.33) BRD4IKBKBCHUKSMYD3KMT2A
SCHEMBL4203465 0.80 SMYD3 (0.38) PIK3CDSMYD3

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 BRD4 668/4885IKBKB 172/4885CHUK 86/4885

“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.