SCHEMBL799059

SCHEMBL799059

COc1cc(N2CCc3nc(NC(=O)Nc4ccc(F)cc4C(=O)NC(C)C)sc3C2)nc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.45
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
NTRK1 P04629 1/20 0.43
PRKDC P78527 1/20 0.43
F10 P00742 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
JAK2 O60674 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL798659 0.94 PIK3CG (0.45) PIK3CGLMNATP53NTRK1PRKDC
SCHEMBL799276 0.92 PIK3CG (0.46) PIK3CGLMNAF10MEN1KMT2A
SCHEMBL799051 0.90 PIK3CG (0.47) PIK3CGLMNANTRK1PRKDCMEN1
SCHEMBL799055 0.87 PIK3CG (0.49) PIK3CGNTRK1PRKDCNPC1CYP1A2
SCHEMBL798660 0.87 PIK3CG (0.45) PIK3CGLMNATP53NTRK1PRKDC
SCHEMBL798921 0.86 PIK3CG (0.46) PIK3CGNTRK1PRKDCMEN1KMT2A
SCHEMBL798657 0.85 PIK3CG (0.45) PIK3CGLMNANTRK1PRKDCNPC1
SCHEMBL798941 0.85 PIK3CG (0.43) PIK3CGLMNANTRK1PRKDCMEN1
SCHEMBL798667 0.84 PIK3CG (0.44) PIK3CGLMNANTRK1PRKDCNPC1
SCHEMBL799135 0.84 PIK3CG (0.44) PIK3CGLMNANTRK1PRKDCNPC1

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 16/4885LMNA 4258/4885TP53 271/4885

“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.