Sugi Predict

Sugi Predict / Compounds / SCHEMBL3230746

SCHEMBL3230746

SCHEMBL3230746

COc1ccccc1-c1nc(N(CO)C(C)O)nc2c1ccc(=O)n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.39
▸ CXCR3 P49682 7/20 0.36
▸ MAT2A P31153 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL3230739 0.89 TRPV1 (0.40) TRPV1CXCR3MAT2AFPR2JAK2
SCHEMBL3216362 0.88 CNR1 (0.38) CXCR3MAT2A
SCHEMBL3233652 0.87 CXCR3 (0.32) CXCR3PDE2A
SCHEMBL3226952 0.85 CXCR3 (0.37) CXCR3
SCHEMBL3233029 0.84 TDP1 (0.39) CXCR3PTGS2PPARGGPR139
SCHEMBL3219638 0.82 TRPV1 (0.40) TRPV1MAT2AFPR2JAK2JAK3
SCHEMBL3229360 0.81 CXCR3 (0.36) CXCR3PPARGPDE2APTGDR2
SCHEMBL3228088 0.81 PPARG (0.34) CXCR3MAT2APPARGPDE2A
SCHEMBL3221968 0.80 TRPA1 (0.37) CXCR3MAT2APTGS2PPARG
SCHEMBL3224078 0.79 PTGS2 (0.35) CXCR3PTGS2PPARG

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 4 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-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-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 (3 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 TRPV1 2803/4885CXCR3 344/4885MAT2A 1910/4885
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 TRPV1 3503/4885CXCR3 479/4885MAT2A 1783/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 TRPV1 1936/4885CXCR3 949/4885MAT2A 2734/4885

“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.