Sugi Predict

Sugi Predict / Compounds / SCHEMBL3216468

SCHEMBL3216468

SCHEMBL3216468

O=c1ccc2c(-c3cc(F)cc(F)c3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.41
▸ SCN9A Q15858 3/20 0.40
▸ MAPK11 Q15759 5/20 0.35
▸ RPS6KA4 O75676 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ NLK Q9UBE8 1/20 0.35
▸ GLA P06280 2/20 0.33
▸ MAPK13 O15264 4/20 0.32
▸ MAPK12 P53778 4/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 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
SCHEMBL3221369 0.93 SCN9A (0.40) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL3213210 0.92 SCN9A (0.40) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL3223282 0.91 SCN9A (0.41) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL4470456 0.90 MAPK14 (0.42) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL3219642 0.89 SCN9A (0.42) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL3225940 0.88 SCN9A (0.40) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL3221822 0.88 SCN9A (0.38) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL3224666 0.88 SCN9A (0.46) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL3223046 0.88 SCN9A (0.41) MAPK14SCN9AMAPK11RPS6KA4MAPK8
SCHEMBL13431170 0.88 SCN9A (0.43) MAPK14SCN9AMAPK11GLAMAPK13

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 MAPK14 4279/4885SCN9A 3193/4885MAPK11 3844/4885
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 MAPK14 4250/4885SCN9A 3568/4885MAPK11 3299/4885
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 MAPK14 3858/4885SCN9A 3053/4885MAPK11 4224/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 MAPK14 60/4885SCN9A 4342/4885MAPK11 89/4885

“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.