SCHEMBL798724

SCHEMBL798724

C[C@@H](CO)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cncc(C#N)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.49
ROCK2 O75116 8/20 0.42
GCK P35557 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 0.93 PIK3CG (0.51) PIK3CGROCK2GCKKDM4E
SCHEMBL171976 0.87 PIK3CG (0.49) PIK3CGGCK
SCHEMBL798937 0.85 PIK3CG (0.44) PIK3CGKDM4E
SCHEMBL798950 0.84 ROCK2 (0.39) PIK3CGROCK2GCK
SCHEMBL799348 0.84 ROCK2 (0.39) PIK3CGROCK2GCK
SCHEMBL799317 0.83 LMNA (0.43) PIK3CGKDM4E
SCHEMBL799311 0.83 PIK3CG (0.44) PIK3CGKDM4E
SCHEMBL799096 0.83 ROCK2 (0.48) PIK3CGROCK2KDM4E
SCHEMBL799347 0.83 GCK (0.48) PIK3CGGCK
SCHEMBL799299 0.82 PIK3CG (0.62) PIK3CGROCK2GCK

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 PIK3CG 16/4885ROCK2 2264/4885GCK 786/4885

“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.