SCHEMBL3233019

SCHEMBL3233019

CCN(c1nc(-c2cccc(OC)c2)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1)C(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
PPARG P37231 5/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
KCNH2 Q12809 2/20 0.35
KCNA5 P22460 1/20 0.35
DGAT2 Q96PD7 3/20 0.34
CACNA1G O43497 1/20 0.34
MAT2A P31153 1/20 0.34
CACNA2D1 P54289 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL3226945 0.90 ALDH1A1 (0.36) TDP1PPARGKDM4ENPC1HPGD
SCHEMBL3233029 0.90 TDP1 (0.39) TDP1PPARGKDM4ENPC1HPGD
SCHEMBL3224069 0.87 PTGS2 (0.35) PPARGPTGS2
SCHEMBL3227578 0.85 TRPA1 (0.35) PTGS2
SCHEMBL3230739 0.84 TRPV1 (0.40) PPARGSMN1; SMN2PTGS2GPBAR1MAT2A
SCHEMBL3229356 0.83 MEN1 (0.35) PPARGHPGDGPBAR1
SCHEMBL3216354 0.81 CNR1 (0.37) PPARGNPSR1GPBAR1MAT2A
SCHEMBL3228687 0.80 TDP1 (0.40) TDP1PPARGKDM4ENPC1HPGD
SCHEMBL3226952 0.79 CXCR3 (0.37)
SCHEMBL3228078 0.79 CRHR1 (0.34) PPARGMAT2A

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 TDP1 4002/4885PPARG 1037/4885KDM4E 4066/4885
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 TDP1 3854/4885PPARG 1676/4885KDM4E 3803/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 TDP1 2032/4885PPARG 1333/4885KDM4E 2364/4885

“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.