Sugi Predict

Sugi Predict / Compounds / SCHEMBL3230739

SCHEMBL3230739

SCHEMBL3230739

CCN(c1nc(-c2ccccc2OC)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1)C(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ MAT2A P31153 1/20 0.35
▸ CXCR3 P49682 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ABCG2 Q9UNQ0 3/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 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
SCHEMBL3230746 0.89 TRPV1 (0.39) TRPV1MAT2ACXCR3PTGS2PPARG
SCHEMBL3216354 0.89 CNR1 (0.37) MAT2APPARGTSHRGPBAR1
SCHEMBL3229356 0.81 MEN1 (0.35) CXCR3PPARGPTGDR2P2RX3ALOX15
SCHEMBL3228078 0.80 CRHR1 (0.34) TRPV1MAT2ACXCR3PPARGPDE2A
SCHEMBL3227578 0.80 TRPA1 (0.35) TRPV1PTGS2PTGDR2TSHRHSD17B10
SCHEMBL3219638 0.79 TRPV1 (0.40) TRPV1MAT2APTGS2ABCG2ABCB1
SCHEMBL3224069 0.79 PTGS2 (0.35) PTGS2PPARG
SCHEMBL3226952 0.74 CXCR3 (0.37) CXCR3HSD17B10
SCHEMBL3233029 0.73 TDP1 (0.39) CXCR3PTGS2PPARGSMN1; SMN2
SCHEMBL3221968 0.69 TRPA1 (0.37) MAT2ACXCR3PTGS2PPARGTSHR

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

“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.