Sugi Predict

Sugi Predict / Compounds / SCHEMBL3221822

SCHEMBL3221822

SCHEMBL3221822

O=c1ccc2c(-c3cccc(Cl)c3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.38
▸ MAPK14 Q16539 7/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK11 Q15759 6/20 0.34
▸ MAPK13 O15264 5/20 0.34
▸ MAPK12 P53778 5/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 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
SCHEMBL3221369 0.93 SCN9A (0.40) SCN9AMAPK14TSHRMAPK11MAPK13
SCHEMBL3219642 0.90 SCN9A (0.42) SCN9AMAPK14MAPTALDH1A1TSHR
SCHEMBL3223282 0.90 SCN9A (0.41) SCN9AMAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL3213210 0.89 SCN9A (0.40) SCN9AMAPK14CYP1A2CYP3A4CYP2C9
SCHEMBL3216468 0.88 MAPK14 (0.41) SCN9AMAPK14MAPTCYP1A2CYP3A4
SCHEMBL2722329 0.88 MAP2K4 (0.41) SCN9AMAPK14KDM4EPOLBTDP1
SCHEMBL10287655 0.87 SCN9A (0.38) SCN9AMAPK14MAPTALDH1A1TSHR
SCHEMBL3228156 0.87 SCN9A (0.40) SCN9AMAPK14MAPTCYP1A2CYP3A4
SCHEMBL3225708 0.87 MAPK14 (0.38) SCN9AMAPK14MAPTTSHRMAPK11
SCHEMBL13431170 0.87 SCN9A (0.43) SCN9AMAPK14TSHRMAPK11MAPK13

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 SCN9A 3193/4885MAPK14 4279/4885MAPT 4841/4885
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 SCN9A 3568/4885MAPK14 4250/4885MAPT 4845/4885
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 SCN9A 3053/4885MAPK14 3858/4885MAPT 4853/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 SCN9A 4342/4885MAPK14 60/4885MAPT 3006/4885

“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.