SCHEMBL3440917

SCHEMBL3440917

CC1SC(=O)N(CC2CC2)N=C1c1ccc2c(c1)nc(-c1cccc(C(F)(F)F)c1)n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.42
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
TGFBR1 P36897 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MCHR1 Q99705 1/20 0.35
PARP1 P09874 1/20 0.35
CNR2 P34972 1/20 0.35
ADORA1 P30542 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
GRM2 Q14416 1/20 0.35
PTGER4 P35408 1/20 0.34
PTGS2 P35354 1/20 0.34
ACSL1 P33121 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL3440838 0.96 KIT (0.41) KITGRIN1GRIN2BTGFBR1OPRM1
SCHEMBL3440861 0.90 KIT (0.44) KITGRIN1GRIN2BTGFBR1OPRM1
SCHEMBL3440953 0.87 KIT (0.42) KITGRIN1GRIN2BTGFBR1PARP1
SCHEMBL3441114 0.87 KIT (0.42) KITGRIN1GRIN2BTGFBR1OPRM1
SCHEMBL3440885 0.87 KIT (0.44) KITGRIN1GRIN2BTGFBR1
SCHEMBL3440972 0.86 KIT (0.43) KITGRIN1GRIN2BTGFBR1MCHR1
SCHEMBL3440876 0.86 KIT (0.47) KITGRIN1GRIN2BTGFBR1OPRM1
SCHEMBL3441009 0.85 KIT (0.43) KITGRIN1GRIN2BTGFBR1OPRM1
SCHEMBL3440904 0.83 KIT (0.44) KITGRIN1GRIN2BTGFBR1OPRM1
SCHEMBL3440822 0.81 KIT (0.42) KITGRIN1GRIN2BTGFBR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232272-B2 Benzimidazoledihydrothiadiazinone derivatives as fructose-1,6-bisphosphatase inhibitors, and pharmaceutical compositions comprising same MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-07-31 US claimed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 US claimed
EP-2058308-A1 Benzimidazoledihydrothiadiazinone derivatives used as fructose-1,6-biphosphatase inhibitors and pharmaceutical compositions containing same. Merck Sante (FR) 2009-05-13 EP claimed
US-8232272-B2 Benzimidazoledihydrothiadiazinone derivatives as fructose-1,6-bisphosphatase inhibitors, and pharmaceutical compositions comprising same MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-07-31 US disclosed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 US disclosed
EP-2229385-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Merck Patent GmbH (DE) 2010-09-22 EP disclosed
WO-2009062576-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2009-05-22 WO disclosed
EP-2058308-A1 Benzimidazoledihydrothiadiazinone derivatives used as fructose-1,6-biphosphatase inhibitors and pharmaceutical compositions containing same. Merck Sante (FR) 2009-05-13 EP 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-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FBP1, ALDOA, GCK KIT 3120/4885GRIN1 4429/4885GRIN2B 4723/4885

“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.