SCHEMBL4356654

SCHEMBL4356654

N#Cc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 1/20 0.40
PDE9A O76083 1/20 0.40
BTK Q06187 7/20 0.39
GPR119 Q8TDV5 1/20 0.38
JAK2 O60674 3/20 0.37
JAK1 P23458 2/20 0.37
EGLN2 Q96KS0 1/20 0.36
FLT3 P36888 1/20 0.35
SLC22A12 Q96S37 2/20 0.35

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
SCHEMBL1128453 0.89 CYP3A4 (0.67) CYP3A4CYP2C9GPR119
SCHEMBL9007096 0.88 CYP3A4 (0.52) CYP3A4CYP2C9PDE9ABTKGPR119
SCHEMBL4355956 0.86 CYP3A4 (0.57) CYP3A4CYP2C9PDE9ABTKGPR119
SCHEMBL4354583 0.84 CYP3A4 (0.60) CYP3A4CYP2C9BTKFLT3
SCHEMBL4459446 0.84 CYP3A4 (0.62) CYP3A4CYP2C9BTKGPR119
SCHEMBL4350405 0.83 CYP3A4 (0.52) CYP3A4CYP2C9BTKFLT3
SCHEMBL4357229 0.83 CYP3A4 (0.47) CYP3A4CYP2C9PDE9AGPR119
SCHEMBL4359029 0.83 CYP3A4 (0.47) CYP3A4CYP2C9PDE9AGPR119JAK2
SCHEMBL4368642 0.83 GPR119 (0.49) CYP3A4CYP2C9PDE9AGPR119FLT3
SCHEMBL4358056 0.82 CYP3A4 (0.49) CYP3A4CYP2C9PDE9AGPR119

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 1503/4885CYP2C9 917/4885PDE9A 528/4885

“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.