SCHEMBL799347

SCHEMBL799347

C[C@@H](CO)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cc[nH]c(=O)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.48
PIK3CG P48736 10/20 0.42
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 3/20 0.39
P2RY1 P47900 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIK3CD O00329 1/20 0.36

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
SCHEMBL171587 0.92 GCK (0.52) GCKPIK3CGALDH1A1POLBGAA
SCHEMBL799317 0.87 LMNA (0.43) PIK3CGALDH1A1POLBGAALMNA
SCHEMBL799311 0.87 PIK3CG (0.44) PIK3CGALDH1A1POLBGAALMNA
SCHEMBL798937 0.87 PIK3CG (0.44) PIK3CGALDH1A1POLBGAALMNA
SCHEMBL799137 0.86 PIK3CG (0.42) GCKPIK3CGALDH1A1POLBGAA
SCHEMBL798678 0.86 PIK3CG (0.47) PIK3CGALDH1A1LMNAPIK3CD
SCHEMBL799355 0.84 P2RY1 (0.43) PIK3CGALDH1A1POLBGAALMNA
SCHEMBL798962 0.84 P2RY1 (0.43) PIK3CGALDH1A1POLBGAALMNA
SCHEMBL798724 0.83 PIK3CG (0.49) GCKPIK3CG
SCHEMBL171976 0.83 PIK3CG (0.49) GCKPIK3CGALDH1A1POLBPIK3CD

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 GCK 786/4885PIK3CG 16/4885ALDH1A1 3750/4885

“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.