SCHEMBL6069967

SCHEMBL6069967

CN1C=CS(=O)(=O)c2cc(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
RAD52 P43351 1/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
THRB P10828 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9245703 0.71 MAOA (0.51) MAPTKDM4ERAD52CA12CA9
SCHEMBL922607 0.64 CA9 (0.58) MAPTKDM4ECA12CA9CA1
SCHEMBL16736567 0.64 MAPT (0.41) MAPTKDM4ERAD52CA12CA9
SCHEMBL6070970 0.64 PDE3B (0.53) MAPTKDM4ERAD52CA12CA9
SCHEMBL8127987 0.64 MAPT (0.41) MAPTKDM4ERAD52CA12CA9
SCHEMBL29451286 0.63 CA12 (0.47) MAPTKDM4ERAD52CA12CA9
SCHEMBL654875 0.61 CHEK1 (0.38) MAPTKDM4ERAD52KMT2AMEN1
SCHEMBL29173543 0.61 KDM4E (0.45) MAPTKDM4ERAD52CA12CA9
SCHEMBL4236217 0.61 CA9 (0.58) MAPTKDM4ECA12CA9CA1
SCHEMBL14625877 0.60 CA9 (0.50) MAPTKDM4ERAD52CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091345-B2 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1560831-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO [4,5-D] PYRIMIDIN ONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
WO-2004041823-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. 2004-05-06 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-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives SRC, ABL1, LCK MAPT 2895/4885KDM4E 969/4885RAD52 3922/4885

“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.