Sugi Predict

Sugi Predict / Compounds / SCHEMBL3229360

SCHEMBL3229360

SCHEMBL3229360

CC(O)N(CO)c1nc(-c2ccc(Cl)cc2)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.36
▸ USP2 O75604 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ CASP1 P29466 4/20 0.34
▸ CASP7 P55210 4/20 0.34
▸ HIF1A Q16665 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 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
SCHEMBL3221968 0.90 TRPA1 (0.37) CXCR3USP2ALDH1A1CYP1A2HIF1A
SCHEMBL3226952 0.90 CXCR3 (0.37) CXCR3USP2ALDH1A1CYP1A2CASP1
SCHEMBL3229356 0.89 MEN1 (0.35) CXCR3USP2ALDH1A1CYP1A2CASP1
SCHEMBL5257112 0.87 CXCR3 (0.34) CXCR3USP2ALDH1A1CYP1A2CASP1
SCHEMBL3228088 0.87 PPARG (0.34) CXCR3PPARGPDE2A
SCHEMBL3216362 0.86 CNR1 (0.38) CXCR3ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL3233029 0.83 TDP1 (0.39) CXCR3PPARG
SCHEMBL3224078 0.83 PTGS2 (0.35) CXCR3PPARG
SCHEMBL3233652 0.81 CXCR3 (0.32) CXCR3MEN1KMT2APDE2A
SCHEMBL3230746 0.81 TRPV1 (0.39) CXCR3PTGDR2PPARGPDE2A

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 CXCR3 344/4885USP2 4259/4885ALDH1A1 865/4885
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 CXCR3 479/4885USP2 4284/4885ALDH1A1 366/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 CXCR3 949/4885USP2 2790/4885ALDH1A1 4413/4885

“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.