SCHEMBL799223

SCHEMBL799223

CC(=O)c1cccc(-c2ccc3nc(N)nn3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.56
DHFR P00374 1/20 0.52
PIK3CD O00329 7/20 0.49
PIK3CA P42336 4/20 0.49
PIK3CB P42338 2/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAPK8 P45983 1/20 0.49
CDK8 P49336 1/20 0.49
GSK3A P49840 1/20 0.49

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
SCHEMBL936653 0.88 PIK3CG (0.51) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL937180 0.84 PIK3CG (0.65) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL1933631 0.83 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CBDYRK1B
SCHEMBL1932107 0.83 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12554043 0.81 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12970648 0.80 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBJAK2
SCHEMBL936441 0.80 PIK3CG (0.51) PIK3CGPIK3CDPIK3CAPIK3CBJAK2
SCHEMBL938836 0.80 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL1933524 0.79 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBJAK2
SCHEMBL12554057 0.77 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CB

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 16/4885DHFR 4321/4885PIK3CD 10/4885

“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.