SCHEMBL798676

SCHEMBL798676

O=C(Nc1nc2c(s1)CN(c1ccnc(Cl)n1)CC2)Nc1ccccc1C(=O)NCCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
PIK3CG P48736 4/20 0.39
TRPV1 Q8NER1 5/20 0.39
PIK3CD O00329 1/20 0.39
GAA P10253 2/20 0.39
HCAR1 Q9BXC0 2/20 0.38
P2RY1 P47900 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 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
SCHEMBL10264879 0.91 PIK3CG (0.41) F10PIK3CGPIK3CDGAAP2RY1
SCHEMBL798936 0.87 LMNA (0.44) F10PIK3CGTRPV1GAAHCAR1
SCHEMBL798665 0.80 PIK3CG (0.45) F10PIK3CGPIK3CDGAAALDH1A1
SCHEMBL12307517 0.79 PIK3CG (0.48) F10PIK3CGTRPV1PIK3CDGAA
SCHEMBL798719 0.78 F10 (0.42) F10PIK3CGPIK3CDGAAHCAR1
SCHEMBL805072 0.78 LMNA (0.44) F10PIK3CGGAAP2RY1ALDH1A1
SCHEMBL798672 0.77 PIK3CG (0.44) PIK3CGALDH1A1RAB9AKMT2AMEN1
SCHEMBL798946 0.76 P2RY1 (0.40) F10PIK3CGPIK3CDGAAHCAR1
SCHEMBL798945 0.76 P2RY1 (0.40) F10PIK3CGPIK3CDGAAHCAR1
SCHEMBL799149 0.75 LMNA (0.43) F10PIK3CGPIK3CDGAAHCAR1

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 1 patent. 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

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 F10 3929/4885PIK3CG 16/4885TRPV1 4835/4885

“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.