SCHEMBL4357936

SCHEMBL4357936

Cc1nc(Cl)ccc1Oc1ncnc2c1cnn2C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
PLK4 O00444 2/20 0.41
SLC2A1 P11166 1/20 0.37
SLC2A2 P11168 1/20 0.37
SLC2A3 P11169 1/20 0.37
PAK4 O96013 1/20 0.36
BRD4 O60885 3/20 0.36
NR3C1 P04150 1/20 0.35
PDE4D Q08499 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL304669 0.83 CYP3A4 (0.44) CYP3A4SLC2A1SLC2A2SLC2A3MAPT
SCHEMBL1128528 0.82 CYP3A4 (0.65) CYP3A4NR3C1EZH2
SCHEMBL4357191 0.80 PDE9A (0.44) CYP3A4SLC2A1SLC2A2SLC2A3MAPT
SCHEMBL4354264 0.80 CYP3A4 (0.41) CYP3A4PLK4SLC2A1SLC2A2SLC2A3
SCHEMBL4363438 0.79 CYP3A4 (0.49) CYP3A4BRD4NR3C1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1128930 0.76 CYP3A4 (0.41) CYP3A4PLK4SLC2A1SLC2A2SLC2A3
SCHEMBL9006277 0.75 SRC (0.45) CYP3A4PLK4PAK4ABL1BCR
SCHEMBL1128747 0.74 CYP3A4 (0.53) CYP3A4KCNH2
SCHEMBL1128588 0.73 CYP3A4 (0.70) CYP3A4
SCHEMBL4358990 0.73 CYP3A4 (0.39) CYP3A4PLK4SLC2A1SLC2A2SLC2A3

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 1503/4885PLK4 4454/4885SLC2A1 172/4885

“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.