SCHEMBL3226952

SCHEMBL3226952

COc1ccc(-c2nc(N(CO)C(C)O)nc3c2ccc(=O)n3-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.37
PTPN11 Q06124 2/20 0.37
ALDH1A1 P00352 5/20 0.36
CASP1 P29466 5/20 0.36
CASP7 P55210 5/20 0.36
CYP1A2 P05177 5/20 0.36
USP2 O75604 5/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BRCA1 P38398 1/20 0.36
HBB P68871 1/20 0.36
PPARD Q03181 5/20 0.36
CYP3A4 P08684 4/20 0.36
HIF1A Q16665 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3233029 0.90 TDP1 (0.39) CXCR3PTPN11
SCHEMBL3226945 0.89 ALDH1A1 (0.36) CXCR3PTPN11ALDH1A1CASP1CASP7
SCHEMBL3230746 0.85 TRPV1 (0.39) CXCR3
SCHEMBL3221968 0.83 TRPA1 (0.37) CXCR3ALDH1A1CYP1A2USP2HSD17B10
SCHEMBL3224078 0.82 PTGS2 (0.35) CXCR3
SCHEMBL3226615 0.81 SCN9A (0.40) PTPN11ALDH1A1CASP1CASP7CYP1A2
SCHEMBL3233019 0.79 TDP1 (0.39)
SCHEMBL3229356 0.78 MEN1 (0.35) CXCR3ALDH1A1CASP1CASP7CYP1A2
SCHEMBL5257112 0.78 CXCR3 (0.34) CXCR3ALDH1A1CASP1CASP7CYP1A2
SCHEMBL4299971 0.77 PTGS2 (0.30)

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 344/4885PTPN11 2591/4885ALDH1A1 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 479/4885PTPN11 3439/4885ALDH1A1 366/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 CXCR3 949/4885PTPN11 1791/4885ALDH1A1 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.