Sugi Predict

Sugi Predict / Compounds / SCHEMBL8998419

SCHEMBL8998419

SCHEMBL8998419

CCOC(=O)Nc1nc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3ccccn3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ RAF1 P04049 3/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ LYN P07948 2/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ EPHA3 P29320 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ EZH2 Q15910 6/20 0.39
▸ SRC P12931 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ GRK5 P34947 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ AURKA O14965 1/20 0.38

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
SCHEMBL8998585 0.92 POLB (0.42) POLBMAPK14RAF1ABL1LYN
SCHEMBL8999330 0.91 POLB (0.43) POLBKCNH2HPGDSGRK5MAPT
SCHEMBL8999489 0.90 ABL1 (0.44) MAPK14ABL1MAPK9HPGDS
SCHEMBL8999932 0.89 POLB (0.42) POLBMAPK14KCNH2EZH2AURKA
SCHEMBL8998926 0.88 ATM (0.42) POLBEGFRHPGDSGRK5AURKA
SCHEMBL8998733 0.88 RAF1 (0.38) KCNH2RAF1ABL1BRAFMAPT
SCHEMBL8998640 0.88 POLB (0.39) POLBMAPK14RAF1ABL1LYN
SCHEMBL8999085 0.87 POLB (0.39) POLBMAPK14RAF1ABL1LYN
SCHEMBL8999739 0.87 POLB (0.40) POLBMAPK14RAF1ABL1LYN
SCHEMBL10046832 0.87 TGFBR1 (0.40) POLBKCNH2EGFRHPGDSGRK5

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 POLB 29/4885MAPK14 1888/4885KCNH2 4677/4885
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B POLB 12/4885MAPK14 2954/4885KCNH2 4486/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B POLB 12/4885MAPK14 2954/4885KCNH2 4486/4885

“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.