Sugi Predict

Sugi Predict / Compounds / SCHEMBL8999870

SCHEMBL8999870

SCHEMBL8999870

CCOC(=O)Nc1nc2cc(-c3ccc(CN4CCN(C(=O)OCC)CC4)nc3)cc(-c3ncccn3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ TBK1 Q9UHD2 5/20 0.42
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MPI P34949 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP4F2 P78329 1/20 0.37

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
SCHEMBL8999879 0.95 KDM4E (0.42) KDM4EALDH1A1TBK1GAAMAPT
SCHEMBL10046858 0.95 KDM4E (0.42) KDM4EALDH1A1TBK1GAAMAPT
SCHEMBL13708913 0.95 KDM4E (0.40) KDM4EALDH1A1TBK1
SCHEMBL8999561 0.94 TBK1 (0.50) TBK1
SCHEMBL8999873 0.94 MAP3K11 (0.41) KDM4EALDH1A1TBK1GAALMNA
SCHEMBL10046877 0.94 KDM4E (0.39) KDM4EALDH1A1TBK1
SCHEMBL8999845 0.94 TBK1 (0.40) KDM4EALDH1A1TBK1
SCHEMBL8999885 0.94 KDM4E (0.41) KDM4EALDH1A1TBK1GAAMAPT
SCHEMBL8999751 0.93 DYRK1A (0.40) KDM4EALDH1A1TBK1
SCHEMBL8999764 0.93 KDM4E (0.38) KDM4EALDH1A1TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
US-8193352-B2 2-(3-Ethyl-ureido)-6-pyridin-3-yl-3H-benzoimidazole-4-carboxylic acid methyl ester; for treating bacterial infections in mammals; useful in treating or lessening severity of urinary tract infections, pneumonia, prostatitis, skin and soft tissue infections, intra-abdominal infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — US disclosed
US-8193352-B2 2-(3-Ethyl-ureido)-6-pyridin-3-yl-3H-benzoimidazole-4-carboxylic acid methyl ester; for treating bacterial infections in mammals; useful in treating or lessening severity of urinary tract infections, pneumonia, prostatitis, skin and soft tissue infections, intra-abdominal infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — US disclosed
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20120010222-A1 Gyrase Inhibitors and Uses Thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — US disclosed
US-20120010222-A1 Gyrase Inhibitors and Uses Thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — US disclosed
US-8067606-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 — — US disclosed
US-8067606-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 — — US disclosed
US-7582641-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-01 — — US disclosed
US-7582641-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-01 — — US disclosed
US-7569591-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US disclosed
US-7569591-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
EP-1592686-B1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2009-07-08 — — EP disclosed
EP-1789419-B1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2009-06-17 — — EP disclosed
US-7495014-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 — — US disclosed
US-7495014-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 — — 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-20120010222-A1 Gyrase Inhibitors and Uses Thereof TOP1, TOP2A, NQO2 KDM4E 2664/4885ALDH1A1 1650/4885TBK1 390/4885
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B KDM4E 1415/4885ALDH1A1 3801/4885TBK1 290/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B KDM4E 1415/4885ALDH1A1 3801/4885TBK1 290/4885

“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.