SCHEMBL799353

SCHEMBL799353

CS(=O)(=O)c1cccc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NCC#N)sc3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.45
PIK3CG P48736 5/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL798732 0.91 PIK3CG (0.51) GCKPIK3CGNPC1RAB9AKDM4E
SCHEMBL799350 0.87 GCK (0.47) GCKPIK3CGNPC1RAB9AKDM4E
SCHEMBL798719 0.80 F10 (0.42) PIK3CGNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL799290 0.79 PIK3CG (0.45) GCKPIK3CGNPC1RAB9AALDH1A1
SCHEMBL799354 0.79 GCK (0.49) GCKPIK3CGNPC1RAB9AKDM4E
SCHEMBL799087 0.79 PIK3CG (0.51) GCKPIK3CGKMT2AMEN1
SCHEMBL171976 0.78 PIK3CG (0.49) GCKPIK3CGALDH1A1
SCHEMBL799274 0.76 PIK3CG (0.53) PIK3CGNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL799349 0.75 LMNA (0.44) GCKPIK3CGNPC1RAB9AKDM4E
SCHEMBL799311 0.75 PIK3CG (0.44) PIK3CGRAB9AKDM4ESMN1; SMN2KMT2A

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 GCK 786/4885PIK3CG 16/4885NPC1 1283/4885

“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.