SCHEMBL3228338

SCHEMBL3228338

O=c1ccc2c(-c3ccccc3Cl)nc(NC(CO)CO)nc2n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.39
IDH2 P48735 1/20 0.37
DGAT2 Q96PD7 9/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CTSA P10619 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
FPR2 P25090 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3230472 0.87 SCN9A (0.41) MAT2AIDH2MAPT
SCHEMBL3219638 0.87 TRPV1 (0.40) MAT2AIDH2FPR2
SCHEMBL3233162 0.87 IDH2 (0.35) MAT2AIDH2
SCHEMBL4218276 0.85 SCN9A (0.36) MAT2AIDH2CNR1CNR2GPBAR1
SCHEMBL3228017 0.85 IDH2 (0.39) MAT2AIDH2CNR1CNR2
SCHEMBL4218268 0.84 IDH2 (0.40) MAT2AIDH2MAPT
SCHEMBL1065428 0.84 MAT2A (0.42) MAT2ADGAT2MAPK13MAPK12MAPK11
SCHEMBL4467067 0.81 DGAT2 (0.38) DGAT2MAPK13MAPK12MAPK11MAPK14
SCHEMBL3228986 0.80 IDH2 (0.37) IDH2MAPK14MAPT
SCHEMBL3216362 0.80 CNR1 (0.38) MAT2ADGAT2CNR1CNR2GPBAR1

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 14 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-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20090048444-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 2009-02-19 US disclosed
US-20090048444-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 2009-02-19 US disclosed
US-20090048444-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 2009-02-19 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-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-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-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-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
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO 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 (4 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 MAT2A 1910/4885IDH2 184/4885DGAT2 2171/4885
US-20090048444-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 MAT2A 1498/4885IDH2 326/4885DGAT2 1798/4885
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 MAT2A 1783/4885IDH2 263/4885DGAT2 2765/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 MAT2A 2734/4885IDH2 3485/4885DGAT2 3487/4885

“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.