Sugi Predict

Sugi Predict / Compounds / SCHEMBL3224741

SCHEMBL3224741

SCHEMBL3224741

CS(=O)(=O)c1ccc(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2c(F)cccc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.39
▸ PTGS2 P35354 9/20 0.36
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ JAK2 O60674 6/20 0.33
▸ JAK3 P52333 5/20 0.33
▸ PTK2 Q05397 4/20 0.33
▸ PTGS1 P23219 4/20 0.32
▸ APLNR P35414 1/20 0.32

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
SCHEMBL3219763 0.91 DYRK3 (0.38) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL4435034 0.90 RIPK2 (0.36) SCN9APTGS2JAK2JAK3PTK2
SCHEMBL3223925 0.88 SCN9A (0.42) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL3224340 0.88 SCN9A (0.45) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL13952137 0.87 SCN9A (0.41) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL3215878 0.86 SCN9A (0.46) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL3228879 0.86 MAPK14 (0.35) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL3213025 0.85 MAPK14 (0.37) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL3221404 0.83 SCN9A (0.37) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1066098 0.82 MAPK14 (0.41) SCN9AMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 — — US disclosed
US-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 — — US disclosed
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives GLAXO GROUP LIMITED 2009-02-19 — — US disclosed
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives GLAXO GROUP LIMITED 2009-02-19 — — US disclosed
US-7479558-B2 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2009-01-20 — — US disclosed
US-7479558-B2 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2009-01-20 — — US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 — — US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 — — US disclosed
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 — — WO disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 — — 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 (4 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 SCN9A 3193/4885PTGS2 910/4885MAPK13 3921/4885
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives CBR3, CBR1, CYP2S1 SCN9A 3568/4885PTGS2 952/4885MAPK13 3611/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 SCN9A 3053/4885PTGS2 1277/4885MAPK13 3664/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 SCN9A 4342/4885PTGS2 2207/4885MAPK13 58/4885

“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.