SCHEMBL799326

SCHEMBL799326

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4N4CCCCC4)sc3C2)nc(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.48
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RY1 P47900 4/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKDC P78527 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
SCHEMBL799320 0.92 PIK3CG (0.47) PIK3CGNPSR1L3MBTL1P2RY1RAB9A
SCHEMBL799092 0.89 PIK3CG (0.51) PIK3CGMAPTP2RY1MEN1KMT2A
SCHEMBL799050 0.88 PIK3CG (0.46) PIK3CGMAPTKMT2ANPC1CYP1A2
SCHEMBL12307895 0.88 PIK3CG (0.50) PIK3CGMAPTP2RY1GAAMEN1
SCHEMBL799067 0.87 PIK3CG (0.49) PIK3CGP2RY1GAAKMT2ANPC1
SCHEMBL799245 0.87 PIK3CG (0.51) PIK3CGMAPTGAAMEN1KMT2A
SCHEMBL799122 0.87 PIK3CG (0.49) PIK3CGNPSR1MAPTP2RY1GAA
SCHEMBL798908 0.87 PIK3CG (0.49) PIK3CGMAPTGAAMEN1KMT2A
SCHEMBL172064 0.87 PIK3CG (0.49) PIK3CGNPSR1MAPTGAAMEN1
SCHEMBL799210 0.87 PIK3CG (0.49) PIK3CGMAPTMEN1KMT2ANPC1

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 16/4885NPSR1 4808/4885MAPT 2574/4885

“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.