SCHEMBL324734

SCHEMBL324734

Cc1ccccc1S(=O)(=O)c1cnc(OC2CCNCC2)nc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
DCK P27707 2/20 0.38
ROCK1 Q13464 4/20 0.36
HRH1 P35367 1/20 0.35
SGK1 O00141 1/20 0.35
IKBKB O14920 3/20 0.35
CHUK O15111 3/20 0.35
AKT1 P31749 1/20 0.34
FFAR2 O15552 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL324106 0.78 KMT2A (0.42) ALDH1A1MEN1HPGDKMT2A
SCHEMBL325180 0.75 IRAK4 (0.36) IRAK4DCKROCK1HRH1SGK1
SCHEMBL324733 0.71 FFAR2 (0.46) HRH1FFAR2
SCHEMBL312481 0.69 DCK (0.47) DCKROCK1
SCHEMBL17151559 0.69 IRAK4 (0.41) IRAK4ROCK1HRH1IKBKBCHUK
SCHEMBL324766 0.69 DCK (0.38) HTR6DCKHRH1FFAR2HTR1A
SCHEMBL324611 0.65 DCK (0.43) DCKROCK1
SCHEMBL29003859 0.65 HRH1 (0.43) IRAK4ROCK1HRH1IKBKBCHUK
SCHEMBL324732 0.65 FFAR2 (0.59) FFAR2
SCHEMBL17151393 0.64 IRAK4 (0.39) IRAK4ROCK1HRH1IKBKBCHUK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 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-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER DPYD, DHFR, TYMP KDM4E 549/4885ALDH1A1 177/4885MEN1 1557/4885

“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.