SCHEMBL799394

SCHEMBL799394

Cc1nc(C(=O)N(C)C)cc(C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KCNH2 Q12809 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NQO2 P16083 1/20 0.33
MAP4K1 Q92918 1/20 0.32
KDM5A P29375 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LRRK2 Q5S007 1/20 0.31
KDM4A O75164 1/20 0.31
BRD4 O60885 1/20 0.31
MALT1 Q9UDY8 1/20 0.30

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
SCHEMBL14804479 0.79 LMNA (0.42) HTR2AHTR2CSLC6A4NOS3NOS1
SCHEMBL19534369 0.78 GAA (0.40) ALDH1A1NQO2MAP4K1KDM4EKDM4A
SCHEMBL12296241 0.74 CLK4 (0.35) ALDH1A1MALT1
SCHEMBL19531793 0.72 TLR8 (0.44) ALDH1A1NOS3NOS1NOS2TLR8
SCHEMBL13790110 0.72 NOS3 (0.50) ALDH1A1NOS3NOS1NOS2KDM4E
SCHEMBL26421526 0.71 KDM4A (0.36) ALDH1A1LRRK2KDM4AMALT1
SCHEMBL12986962 0.70 OGA (0.39) ALDH1A1KDM4EKDM4ABRD4
SCHEMBL11960330 0.68 TSHR (0.42) NOS3NOS1NOS2
SCHEMBL20697048 0.68 GCK (0.36) ALDH1A1
SCHEMBL11547726 0.67 NOS3 (0.42) NOS3NOS1NOS2HCAR3HCAR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 HTR2A 4862/4885HTR2C 4870/4885SLC6A4 1875/4885

“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.