SCHEMBL799136

SCHEMBL799136

COc1cc(N2CCc3nc(NC(=O)Nc4ccc(F)cc4C(=O)NC(C)C)sc3C2)cnc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.64
JAK2 O60674 1/20 0.51
PIK3CD O00329 1/20 0.49
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
F10 P00742 1/20 0.42
NTRK1 P04629 1/20 0.41
PRKDC P78527 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 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
SCHEMBL172096 0.91 PIK3CG (0.66) PIK3CGJAK2PIK3CDLMNANTRK1
SCHEMBL799299 0.85 PIK3CG (0.62) PIK3CGJAK2PIK3CDLMNANTRK1
SCHEMBL799059 0.82 PIK3CG (0.45) PIK3CGJAK2LMNATP53F10
SCHEMBL10085353 0.81 PIK3CG (0.82) PIK3CGJAK2PIK3CDNTRK1PRKDC
SCHEMBL799298 0.80 PIK3CG (0.64) PIK3CGJAK2PIK3CDNTRK1PRKDC
SCHEMBL10085343 0.79 PIK3CG (1.00) PIK3CGJAK2PIK3CD
SCHEMBL10085347 0.79 PIK3CG (0.78) PIK3CGJAK2PIK3CDNTRK1PRKDC
SCHEMBL798644 0.78 PIK3CG (0.66) PIK3CGJAK2PIK3CDLMNANTRK1
SCHEMBL805099 0.78 PIK3CG (0.47) PIK3CGJAK2PIK3CDLMNAMEN1
SCHEMBL169977 0.78 PIK3CG (0.66) PIK3CGJAK2PIK3CDLMNANTRK1

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.