SCHEMBL191263

SCHEMBL191263

CCOC(=O)Cc1cc(N)ncc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
GABRP O00591 3/20 0.45
GABRD O14764 3/20 0.45
GABRA1 P14867 3/20 0.45
GABRB1 P18505 3/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA5 P31644 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRA2 P47869 3/20 0.45
GABRB2 P47870 3/20 0.45
GABRA4 P48169 3/20 0.45
GABRE P78334 3/20 0.45
GABRA6 Q16445 3/20 0.45
GABRG1 Q8N1C3 3/20 0.45
GABRG3 Q99928 3/20 0.45
GABRQ Q9UN88 3/20 0.45
DPP4 P27487 2/20 0.45
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42

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
SCHEMBL191213 0.78 DPP4 (0.40) SMN1; SMN2DPP4L3MBTL1KMT2ATDP1
SCHEMBL1913153 0.77 NOS3 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22538123 0.77 KMT2A (0.42) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL14431564 0.73 SMN1; SMN2 (0.48) SMN1; SMN2DPP4L3MBTL1KMT2APKM
SCHEMBL14999835 0.73 KMT2A (0.40) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL21855464 0.73 PKM (0.41) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL19874265 0.73 SMN1; SMN2 (0.43) SMN1; SMN2DPP4KMT2AMAPK1ALDH1A1
SCHEMBL24614557 0.72 SMN1; SMN2 (0.53) SMN1; SMN2DPP4L3MBTL1KMT2AMAPK1
SCHEMBL21352047 0.72 KMT2A (0.40) SMN1; SMN2KMT2ATDP1PKMALDH1A1
SCHEMBL973326 0.72 SMN1; SMN2 (0.39) SMN1; SMN2DPP4KMT2ATDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
CN-101437512-A Glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 SMN1; SMN2 2600/4885GABRP 2134/4885GABRD 1931/4885

“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.