SCHEMBL3573608

SCHEMBL3573608

CSc1ncc2c(n1)N(C)C(=O)N(c1cc([N+](=O)[O-])ccc1Cl)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 8/20 0.55
HTT P42858 1/20 0.40
ROCK1 Q13464 2/20 0.35
KMT2A Q03164 3/20 0.35
WDR5 P61964 2/20 0.35
LCK P06239 4/20 0.34
FGFR1 P11362 2/20 0.34
ABL1 P00519 1/20 0.34
FES P07332 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
EPHA3 P29320 1/20 0.34
KDR P35968 1/20 0.34
BMX P51813 1/20 0.34
EPHB4 P54760 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
SCHEMBL3572656 0.84 HTT (0.37) FGFR4HTTROCK1KMT2AWDR5
SCHEMBL19922636 0.79 TNK2 (0.42) FGFR4LCKFGFR1ABL1FES
SCHEMBL1521583 0.77 FGFR4 (0.55) FGFR4LCKFGFR1ABL1FES
SCHEMBL1521396 0.76 FGFR4 (0.52) FGFR4LCKFGFR1ABL1FES
SCHEMBL5229018 0.76 FGFR4 (0.61) FGFR4KMT2ALCKFGFR1FGFR3
SCHEMBL30955644 0.76 FGFR4 (0.42) FGFR4ROCK1KMT2AFGFR1LMNA
SCHEMBL1521913 0.75 FGFR4 (0.60) FGFR4KMT2ALCKFGFR1PDGFRB
SCHEMBL23648792 0.73 FGFR4 (0.60) FGFR4LCKFGFR1ABL1FES
SCHEMBL4472920 0.73 FGFR1 (0.46) FGFR4LCKFGFR1ABL1FES
SCHEMBL6620598 0.72 FGFR4 (0.71) FGFR4FGFR1ABL1FGFR3KDR

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 7 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-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

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 FGFR4 1075/4885HTT 3853/4885ROCK1 4509/4885
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 FGFR4 1538/4885HTT 3902/4885ROCK1 4696/4885

“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.