SCHEMBL4328580

SCHEMBL4328580

CCOc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
PIK3CD O00329 3/20 0.44
CYP2C9 P11712 2/20 0.42
SRC P12931 2/20 0.41
KMT2A Q03164 1/20 0.38
MAPK8 P45983 1/20 0.38
FLT3 P36888 1/20 0.37
PDE9A O76083 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BTK Q06187 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL1128460 0.91 CYP3A4 (0.49) CYP3A4PIK3CDCYP2C9SRCKMT2A
SCHEMBL1128256 0.90 CYP3A4 (0.52) CYP3A4PIK3CDCYP2C9GPR119KCNH2
SCHEMBL1128531 0.89 CYP3A4 (0.66) CYP3A4PIK3CDCYP2C9GPR119
SCHEMBL1128550 0.89 CYP3A4 (0.51) CYP3A4PIK3CDCYP2C9SRCMAPK8
SCHEMBL4355637 0.88 CYP3A4 (0.60) CYP3A4CYP2C9SRCFLT3PDE9A
SCHEMBL4358909 0.85 CYP3A4 (0.50) CYP3A4PIK3CDCYP2C9KMT2AFLT3
SCHEMBL4468923 0.85 CYP3A4 (0.47) CYP3A4PIK3CDCYP2C9KMT2AFLT3
Trifluoroacetic Acid SCHEMBL1128482 0.85 CYP3A4 (0.45) CYP3A4PIK3CDCYP2C9SRCFLT3
SCHEMBL9006277 0.85 SRC (0.45) CYP3A4PIK3CDSRCMAPK8FLT3
SCHEMBL4368392 0.85 CYP3A4 (0.51) CYP3A4CYP2C9PDE9AGPR119KDM4E

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
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

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 1503/4885PIK3CD 2624/4885CYP2C9 917/4885

“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.