SCHEMBL4357191

SCHEMBL4357191

COc1ccc(Oc2ncnc3c2cnn3C2CCNCC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.44
CYP3A4 P08684 2/20 0.43
PIP4K2A P48426 2/20 0.41
PIK3CG P48736 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
SLC2A1 P11166 1/20 0.39
SLC2A2 P11168 1/20 0.39
SLC2A3 P11169 1/20 0.39
FLT3 P36888 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALK Q9UM73 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SRC P12931 2/20 0.38
KDR P35968 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
ABL2 P42684 1/20 0.37
HTR1A P08908 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
SCHEMBL4363438 0.85 CYP3A4 (0.49) CYP3A4FLT3EIF2AK3LMNAKDR
SCHEMBL1128198 0.82 CYP3A4 (0.68) CYP3A4PIK3CGMAPTSRCABL1
SCHEMBL4354264 0.80 CYP3A4 (0.41) PDE9ACYP3A4PIK3CGSLC2A1SLC2A2
SCHEMBL4357936 0.80 CYP3A4 (0.41) PDE9ACYP3A4SLC2A1SLC2A2SLC2A3
SCHEMBL9006277 0.79 SRC (0.45) PDE9ACYP3A4FLT3ALKSRC
SCHEMBL4358920 0.79 BRAF (0.51) CYP3A4FLT3KDRABL1EGFR
Hydrochloric Acid SCHEMBL1128930 0.76 CYP3A4 (0.41) PDE9ACYP3A4SLC2A1SLC2A2SLC2A3
SCHEMBL1128588 0.76 CYP3A4 (0.70) CYP3A4FLT3
SCHEMBL304669 0.76 CYP3A4 (0.44) CYP3A4SLC2A1SLC2A2SLC2A3MAPT
SCHEMBL4358365 0.76 ABL1 (0.57) CYP3A4FLT3SRCKDRABL1

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-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 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 PDE9A 528/4885CYP3A4 1503/4885PIP4K2A 2106/4885

“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.