SCHEMBL1128939

SCHEMBL1128939

CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3cccc(C#N)c3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
DRD4 P21917 3/20 0.49
DRD3 P35462 2/20 0.49
JAK2 O60674 6/20 0.42
JAK1 P23458 5/20 0.42
JAK3 P52333 3/20 0.40
TYK2 P29597 2/20 0.40
DRD2 P14416 1/20 0.40
FAAH O00519 1/20 0.39
CXCR3 P49682 1/20 0.39
CHRM4 P08173 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM3 P20309 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL1128729 0.88 CYP3A4 (0.74) CYP3A4DRD4DRD3DRD2FAAH
SCHEMBL1128946 0.88 CYP3A4 (0.80) CYP3A4DRD4DRD3DRD2FAAH
SCHEMBL1128923 0.86 CYP3A4 (0.74) CYP3A4FAAHCXCR3CYP2C9CHRM3
SCHEMBL1128689 0.84 CYP3A4 (0.82) CYP3A4
SCHEMBL1128783 0.84 CYP3A4 (0.82) CYP3A4JAK2JAK1JAK3TYK2
SCHEMBL1129071 0.83 CYP3A4 (0.83) CYP3A4JAK2JAK1JAK3TYK2
SCHEMBL4362241 0.82 CYP3A4 (0.78) CYP3A4JAK2JAK1JAK3TYK2
SCHEMBL4364480 0.81 CYP3A4 (1.00) CYP3A4JAK2JAK1JAK3TYK2
SCHEMBL1128847 0.81 CYP3A4 (0.68) CYP3A4CYP2C9GPR119
SCHEMBL1128593 0.81 CYP3A4 (0.71) CYP3A4DRD4JAK2JAK1JAK3

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-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885DRD4 2435/4885DRD3 1763/4885

“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.