SCHEMBL799095

SCHEMBL799095

CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cc(F)ccc1S(C)(=O)=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GCK P35557 4/20 0.39
PIK3CG P48736 4/20 0.39
P2RY1 P47900 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL799349 0.88 LMNA (0.44) LMNATP53MEN1KMT2AGCK
SCHEMBL799354 0.83 GCK (0.49) LMNAMEN1KMT2AGCKPIK3CG
SCHEMBL799350 0.83 GCK (0.47) LMNAMEN1KMT2AGCKPIK3CG
SCHEMBL799087 0.81 PIK3CG (0.51) LMNAMEN1KMT2AGCKPIK3CG
SCHEMBL799269 0.81 PIK3CG (0.51) LMNAMEN1KMT2APIK3CGNPC1
SCHEMBL172045 0.80 PIK3CG (0.54) LMNAMEN1KMT2AGCKPIK3CG
SCHEMBL12308025 0.79 LMNA (0.46) LMNATP53MEN1KMT2AGCK
SCHEMBL799274 0.79 PIK3CG (0.53) LMNATP53MEN1KMT2APIK3CG
SCHEMBL799158 0.79 PIK3CG (0.44) LMNAMEN1KMT2APIK3CGP2RY1
SCHEMBL799051 0.78 PIK3CG (0.47) LMNAMEN1KMT2AGCKPIK3CG

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
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 LMNA 4258/4885TP53 271/4885MEN1 2694/4885

“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.