SCHEMBL799096

SCHEMBL799096

CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1ccc(C#N)cc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.48
KDM4E B2RXH2 1/20 0.47
PIK3CG P48736 4/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL799272 0.90 PIK3CG (0.51) ROCK2KDM4EPIK3CGLMNA
SCHEMBL799354 0.87 GCK (0.49) KDM4EPIK3CGLMNAMEN1KMT2A
SCHEMBL799158 0.87 PIK3CG (0.44) PIK3CGLMNAMEN1KMT2AALDH1A1
SCHEMBL172045 0.85 PIK3CG (0.54) PIK3CGLMNAMEN1KMT2AALDH1A1
SCHEMBL799269 0.85 PIK3CG (0.51) ROCK2PIK3CGLMNAMEN1KMT2A
SCHEMBL799343 0.84 LMNA (0.42) ROCK2KDM4EPIK3CGLMNAMEN1
SCHEMBL169977 0.84 PIK3CG (0.66) PIK3CGLMNAMEN1KMT2A
SCHEMBL799274 0.84 PIK3CG (0.53) ROCK2KDM4EPIK3CGLMNAMEN1
SCHEMBL171587 0.83 GCK (0.52) KDM4EPIK3CGLMNAMEN1KMT2A
SCHEMBL798724 0.83 PIK3CG (0.49) ROCK2KDM4EPIK3CG

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 ROCK2 2264/4885KDM4E 2191/4885PIK3CG 16/4885

“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.