SCHEMBL3572773

SCHEMBL3572773

CSc1ncc(CCl)c(CN)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.32
HASPIN Q8TF76 1/20 0.31
POLB P06746 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
Hydrochloric Acid SCHEMBL3582645 0.98 MEN1 (0.35) MEN1KMT2AALDH1A1HASPIN
SCHEMBL6208766 0.87 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL23094542 0.78 KMT2A (0.43) MEN1KMT2AALDH1A1POLB
SCHEMBL23094450 0.77 MEN1 (0.39) MEN1KMT2AALDH1A1POLB
SCHEMBL19744030 0.75 MAPT (0.35) MEN1KMT2AHASPINPOLB
SCHEMBL30934837 0.75 MAPT (0.35) MEN1KMT2AHASPINPOLB
SCHEMBL31483966 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1POLB
SCHEMBL4693682 0.75 MEN1 (0.35) MEN1KMT2AHASPINPOLB
SCHEMBL3972170 0.73 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HASPIN
SCHEMBL23094446 0.72 ALDH1A1 (0.38) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655651-B2 Amide derivatives of 3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2010-02-02 US disclosed
EP-1789416-B1 AMIDE DERIVATIVES OF 3-PHENYL DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-7494993-B2 Amide derivatives of 7-amino-3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents HOFFMANN-LA ROCHE INC. 2008-02-07 US disclosed
US-20070232611-A1 Amide Derivatives of 3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCNE AG (CH) 2007-10-04 US disclosed
EP-1789417-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-30 EP disclosed
EP-1789416-A2 AMIDE DERIVATIVES OF 3-PHENYL DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-la Roche AG (CH) 2007-05-30 EP disclosed
WO-2006024486-A2 AMIDE DERIVATIVES OF 3-PHENYL DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 WO disclosed
WO-2006024487-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 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 (2 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-20070232611-A1 Amide Derivatives of 3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents DPYD, THPO, DHPS MEN1 3487/4885KMT2A 2700/4885ALDH1A1 225/4885
US-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents DPYD, GART, DDC MEN1 3237/4885KMT2A 2513/4885ALDH1A1 269/4885

“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.