SCHEMBL172059

SCHEMBL172059

CC(=O)c1cccc(-c2ccc3nc(NC(=O)Nc4ccccc4OCCC(C)C)nn3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.51
PIK3CD O00329 9/20 0.47
TTK P33981 5/20 0.45
PIK3CA P42336 7/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP2 O95551 1/20 0.42
PIK3CB P42338 1/20 0.40

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
SCHEMBL799159 0.84 PIK3CG (0.47) PIK3CGPIK3CDTTKPIK3CAPIK3CB
SCHEMBL798968 0.83 PIK3CG (0.60) PIK3CGPIK3CDTTKPIK3CAPIK3CB
SCHEMBL172135 0.77 MAPT (0.48) ALDH1A1MAPT
SCHEMBL798882 0.77 MEN1 (0.51) PIK3CGALDH1A1MAPT
SCHEMBL171967 0.76 PIK3CG (0.51) PIK3CGPIK3CDTTKPIK3CATDP2
SCHEMBL799248 0.75 PIK3CA (0.48) PIK3CGPIK3CDPIK3CAMAPT
SCHEMBL798967 0.75 PIK3CG (0.51) PIK3CGPIK3CDTTKPIK3CATDP2
SCHEMBL798697 0.75 PIK3CD (0.43) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL172061 0.73 MAPT (0.45) PIK3CAALDH1A1MAPT
SCHEMBL798680 0.71 RIPK1 (0.48) PIK3CGPIK3CDPIK3CA

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 3 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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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 16/4885PIK3CD 10/4885TTK 1077/4885

“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.