SCHEMBL1128845

SCHEMBL1128845

CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCNCC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 2/20 0.43
GPR119 Q8TDV5 6/20 0.38
KDR P35968 2/20 0.37
BRAF P15056 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
TRPA1 O75762 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
ALK Q9UM73 1/20 0.36
KCNH2 Q12809 1/20 0.35
FLT3 P36888 2/20 0.35
PDE9A O76083 1/20 0.34

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
SCHEMBL4459446 0.86 CYP3A4 (0.62) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL1128606 0.85 CYP3A4 (0.78) CYP3A4CYP2C9GPR119
SCHEMBL1128588 0.85 CYP3A4 (0.70) CYP3A4CYP2C9GPR119FLT3
SCHEMBL1128382 0.83 CYP3A4 (0.63) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL1128747 0.83 CYP3A4 (0.53) CYP3A4CYP2C9GPR119EIF2AK3KCNH2
SCHEMBL1128738 0.80 CYP3A4 (0.48) CYP3A4CYP2C9GPR119KCNH2
Trifluoroacetic Acid SCHEMBL1128524 0.80 CYP3A4 (0.68) CYP3A4CYP2C9GPR119BRAFABL1
SCHEMBL9006277 0.80 SRC (0.45) CYP3A4PLK4PAK4TRPA1ABL1
SCHEMBL4354679 0.79 CYP3A4 (0.57) CYP3A4CYP2C9GPR119KDRBRAF
Hydrochloric Acid SCHEMBL1128930 0.78 CYP3A4 (0.41) CYP3A4CYP2C9EIF2AK3PLK4PAK4

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 3 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 disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP 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 1503/4885CYP2C9 917/4885GPR119 1/4885

“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.