SCHEMBL3080404

SCHEMBL3080404

CS(=O)(=O)CCNC1CCN(c2cnc3ccc(Br)cc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.49
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
OPRK1 P41145 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
PIK3CA P42336 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
HTR3A P46098 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3627366 0.76 SMO (0.43) SMOTLR9TLR8TLR7PIK3CA
SCHEMBL3090583 0.76 PIK3CA (0.46) SMOPIK3CA
SCHEMBL3091595 0.75 HRH4 (0.38) HRH4PIK3CAHTR3A
SCHEMBL3095779 0.73 HTT (0.43) HRH4HTR3AKDM4EHSD17B10
SCHEMBL2621746 0.71 HRH4 (0.66) HRH4HTR3AKDM4E
SCHEMBL29780593 0.71 HRH4 (0.66) HRH4HTR3AKDM4E
SCHEMBL1442947 0.71 L3MBTL1 (0.48) HRH4PIK3CAHTR3AKDM4EHSD17B10
SCHEMBL28750186 0.70 HRH4 (0.51) HRH4HTR3A
SCHEMBL3094939 0.70 NPC1 (0.42) HRH4HTR3AKDM4E
SCHEMBL30682080 0.69 MAP4K4 (0.47) HRH4PIK3CAHTR3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 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 (2 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG SMO 1335/4885TLR9 337/4885TLR8 1205/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG SMO 1335/4885TLR9 337/4885TLR8 1205/4885

“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.