Sugi Predict

Sugi Predict / Compounds / SCHEMBL4864756

SCHEMBL4864756

SCHEMBL4864756

O=C1c2ccccc2C(=O)N1OC1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ MEN1 O00255 2/20 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
SCHEMBL30137583 0.90 GAA (0.40) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL4863817 0.90 GAA (0.40) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL6525004 0.86 GAA (0.42) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL30728974 0.81 GAA (0.46) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL26931611 0.81 GAA (0.46) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL24130978 0.78 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL30002131 0.78 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL2077862 0.78 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL2643585 0.76 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL10848836 0.76 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19GAAALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458979-B Aminopyrazine derivatives as phosphatidylinositol 3-kinase inhibitors 诺华股份有限公司 2020-03-27 — — CN disclosed
EP-3134396-B1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-18 — — EP disclosed
US-10112926-B2 Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-10-30 — — US disclosed
US-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-08-30 — — US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 — — US disclosed
EP-3134397-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2017-03-01 — — EP disclosed
EP-3134396-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2017-03-01 — — EP disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 — — US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 — — US disclosed
WO-2015162456-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 — — WO disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 — — US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 — — US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 — — US disclosed
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 — — EP disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 — — US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 — — US disclosed
EP-1086076-A1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-03-28 — — EP disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 — — WO 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 (8 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-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP4K2B, PHKG1 CYP1A2 2178/4885CYP2C9 3074/4885CYP2C19 2014/4885
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CYP1A2 1871/4885CYP2C9 2246/4885CYP2C19 2787/4885
US-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B CYP1A2 1805/4885CYP2C9 3818/4885CYP2C19 2656/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CYP1A2 1871/4885CYP2C9 2246/4885CYP2C19 2787/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CYP1A2 1871/4885CYP2C9 2246/4885CYP2C19 2787/4885
US-10112926-B2 Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP4K2B, PHKG1 CYP1A2 2178/4885CYP2C9 3074/4885CYP2C19 2014/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B CYP1A2 1805/4885CYP2C9 3818/4885CYP2C19 2656/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B CYP1A2 1805/4885CYP2C9 3818/4885CYP2C19 2656/4885

“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.