SCHEMBL13341869

SCHEMBL13341869

CS(=O)(=O)c1ccc(/C(=C\C2CCOCC2)c2cnc(-c3ccccn3)[nH]2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.56
TGFBR1 P36897 2/20 0.34
NPY5R Q15761 1/20 0.34
F2 P00734 1/20 0.34
SMO Q99835 2/20 0.33
MAPK14 Q16539 1/20 0.33
CBFB Q13951 1/20 0.32
ITGA5 P08648 1/20 0.32
GABRA5 P31644 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2899871 0.87 GCK (0.54) GCKTGFBR1CBFBKMT2AALDH1A1
SCHEMBL2899867 0.87 GCK (0.54) GCKTGFBR1CBFBKMT2AALDH1A1
SCHEMBL2899870 0.87 GCK (0.54) GCKTGFBR1CBFBKMT2AALDH1A1
SCHEMBL2409084 0.75 GCK (0.51) GCKKMT2AALDH1A1MEN1LMNA
SCHEMBL2409081 0.75 GCK (0.51) GCKKMT2AALDH1A1MEN1LMNA
SCHEMBL2409086 0.75 GCK (0.51) GCKKMT2AALDH1A1MEN1LMNA
SCHEMBL2900901 0.73 GCK (0.56) GCKNPY5RSMO
SCHEMBL2902403 0.71 GCK (0.37) GCKTGFBR1F2MAPK14CBFB
SCHEMBL2902406 0.71 GCK (0.37) GCKTGFBR1F2MAPK14CBFB
SCHEMBL2902409 0.71 GCK (0.37) GCKTGFBR1F2MAPK14CBFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 GCK 2/4885TGFBR1 4047/4885NPY5R 493/4885

“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.