SCHEMBL3580202

SCHEMBL3580202

CN1C(=O)N(c2cc(N)ccc2Cl)Cc2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 10/20 0.39
FGFR1 P11362 4/20 0.37
TNK2 Q07912 4/20 0.37
MAP4K2 Q12851 4/20 0.37
FGFR3 P22607 3/20 0.37
LCK P06239 2/20 0.37
BMX P51813 2/20 0.37
KDR P35968 2/20 0.37
ABL1 P00519 2/20 0.37
FES P07332 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
EPHA3 P29320 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
KARS1 Q15046 1/20 0.37

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
SCHEMBL6625602 0.91 FGFR4 (0.40) FGFR4FGFR1TNK2MAP4K2FGFR3
SCHEMBL3580197 0.88 FGFR4 (0.40) FGFR4FGFR1TNK2MAP4K2FGFR3
SCHEMBL4472920 0.87 FGFR1 (0.46) FGFR4FGFR1TNK2MAP4K2FGFR3
SCHEMBL6623008 0.86 FGFR4 (0.43) FGFR4LCKMAPK14EGFRCSF1R
SCHEMBL3572656 0.85 HTT (0.37) FGFR4FGFR1TNK2MAP4K2FGFR3
SCHEMBL6620671 0.84 FGFR4 (0.40) FGFR4FGFR1TNK2MAP4K2FGFR3
SCHEMBL6622657 0.81 FGFR4 (0.42) FGFR4FGFR1FGFR3LCKKDR
SCHEMBL5231241 0.81 FGFR4 (0.52) FGFR4FGFR1FGFR3LCKKDR
SCHEMBL6622724 0.78 TNK2 (0.43) FGFR4FGFR1TNK2MAP4K2FGFR3
SCHEMBL4479243 0.78 TNK2 (0.54) FGFR4FGFR1TNK2MAP4K2FGFR3

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 FGFR4 1075/4885FGFR1 1730/4885TNK2 1671/4885
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 1538/4885FGFR1 2579/4885TNK2 2117/4885

“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.