SCHEMBL3091968

SCHEMBL3091968

Cn1cc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5cccc6nonc56)c4)cc3n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
HSPE1 P61604 1/20 0.43
FGFR3 P22607 6/20 0.42
KDR P35968 6/20 0.42
ALPL P05186 2/20 0.41
KMT2A Q03164 3/20 0.41
ACLY P53396 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
FGFR1 P11362 3/20 0.39
FGFR2 P21802 3/20 0.39
FLT3 P36888 1/20 0.39
FGFR4 P22455 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL3096942 0.85 FGFR3 (0.46) PTPN2PTPN1PTPN5FGFR3KDR
SCHEMBL3074478 0.85 FGFR3 (0.48) FGFR3KDRALPLKMT2AFGFR1
SCHEMBL3084748 0.84 PIK3CA (0.53) FGFR3KDRALPLFGFR1FGFR2
SCHEMBL3095876 0.84 FGFR3 (0.50) FGFR3KDRALPLFGFR1FGFR2
SCHEMBL3080314 0.83 ALPL (0.54) FGFR3KDRALPLFGFR1FGFR2
SCHEMBL3094941 0.82 PIK3CA (0.50) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL3078408 0.82 SLC22A12 (0.50) PTPN2PTPN1PTPN5FGFR3KDR
SCHEMBL3087774 0.82 FGFR3 (0.46) FGFR3KDRALPLKMT2AFGFR1
SCHEMBL3084150 0.82 FGFR3 (0.46) FGFR3KDRALPLFGFR1FGFR2
SCHEMBL3087020 0.81 FGFR3 (0.48) FGFR3KDRALPLFGFR1FGFR2

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 HSPD1 1020/4885PTPN2 948/4885PTPN1 765/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG HSPD1 1020/4885PTPN2 948/4885PTPN1 765/4885

“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.