SCHEMBL4351830

SCHEMBL4351830

O=C(O)N1CCC(n2ncc3c(Oc4cccnc4)ncnc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
BTK Q06187 3/20 0.42
MAP4K4 O95819 1/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
ABL1 P00519 1/20 0.38
PIK3CA P42336 5/20 0.38
MTOR P42345 5/20 0.38
EPHX2 P34913 1/20 0.38
FLT3 P36888 1/20 0.37
CYP2C9 P11712 1/20 0.37
EGFR P00533 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
SCHEMBL1128417 0.91 CYP3A4 (0.60) CYP3A4BTKFLT3CYP2C9EGFR
SCHEMBL1128413 0.87 CYP3A4 (0.72) CYP3A4ABL1PIK3CAMTORCYP2C9
SCHEMBL13617064 0.86 CYP3A4 (0.48) CYP3A4BTKMAP4K4FLT3
SCHEMBL4350405 0.85 CYP3A4 (0.52) CYP3A4BTKABL1FLT3CYP2C9
SCHEMBL4352334 0.84 CYP3A4 (0.62) CYP3A4BTKKMT2ARAB9AFLT3
SCHEMBL4354583 0.84 CYP3A4 (0.60) CYP3A4BTKABL1FLT3CYP2C9
SCHEMBL1129023 0.83 CYP3A4 (0.51) CYP3A4BTKRAB9ACYP2C9EGFR
SCHEMBL1128538 0.83 CYP3A4 (0.53) CYP3A4
SCHEMBL4359837 0.83 CYP3A4 (0.66) CYP3A4BTKKMT2AFLT3CYP2C9
SCHEMBL4366581 0.83 CYP3A4 (0.56) CYP3A4RAB9APIK3CAFLT3CYP2C9

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 CYP3A4 1503/4885BTK 4379/4885MAP4K4 3164/4885

“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.