SCHEMBL798708

SCHEMBL798708

CC(C)NC(=O)c1nn(C)cc1NC(=O)Nc1nc2c(s1)CN(c1cncc(C(F)(F)F)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.48
JAK2 O60674 1/20 0.40
PIK3CD O00329 1/20 0.40
NTRK1 P04629 1/20 0.39
PRKDC P78527 1/20 0.39
GCK P35557 2/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RY1 P47900 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL799157 0.87 PIK3CG (0.48) PIK3CGJAK2PIK3CDKDM4E
SCHEMBL799081 0.85 PIK3CG (0.51) PIK3CGJAK2GCKP2RY1
SCHEMBL798720 0.81 GCK (0.50) PIK3CGJAK2PIK3CDGCKKDM4E
SCHEMBL798956 0.80 PIK3CG (0.40) PIK3CGJAK2PIK3CDGCKKDM4E
SCHEMBL805069 0.80 PIK3CG (0.40) PIK3CGJAK2PIK3CDNTRK1PRKDC
SCHEMBL799338 0.79 PIK3CG (0.41) PIK3CGJAK2PIK3CDNTRK1PRKDC
SCHEMBL10085715 0.78 PIK3CG (0.71) PIK3CGPIK3CDSTS
SCHEMBL799301 0.78 PIK3CG (0.46) PIK3CGJAK2PIK3CDNTRK1PRKDC
SCHEMBL10085714 0.78 PIK3CG (0.73) PIK3CGJAK2PIK3CDNTRK1PRKDC
SCHEMBL799155 0.77 ROCK2 (0.39) PIK3CGPIK3CDNTRK1PRKDCGCK

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 16/4885JAK2 57/4885PIK3CD 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.