SCHEMBL1358286

SCHEMBL1358286

CCOC(=O)Nc1nc2cc(-n3cnc(C(=O)NC4CC4)c3)cc(-c3ncccn3)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 1/20 0.40
MLLT1 Q03111 1/20 0.40
RIPK2 O43353 4/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CD38 P28907 4/20 0.38
SMYD3 Q9H7B4 1/20 0.36
CNR2 P34972 1/20 0.34
USP30 Q70CQ3 2/20 0.34
MAPK14 Q16539 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL8997908 0.91 MLLT3 (0.39) MLLT3MLLT1RIPK2NPC1ALDH1A1
SCHEMBL8998112 0.88 MLLT3 (0.40) MLLT3MLLT1RIPK2NPC1ALDH1A1
SCHEMBL8998142 0.87 NOTUM (0.35) SMN1; SMN2NOTUM
SCHEMBL8999556 0.86 MAPK13 (0.36) ALDH1A1CD38NOTUM
SCHEMBL8998114 0.85 CD38 (0.37) MLLT3MLLT1RIPK2NPC1ALDH1A1
SCHEMBL3571069 0.85 MLLT3 (0.36) MLLT3MLLT1RIPK2NPC1ALDH1A1
SCHEMBL8998536 0.85 L3MBTL1 (0.42) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8998178 0.84 NOTUM (0.35) NOTUM
SCHEMBL13953887 0.84 NOTUM (0.34) NPC1ALDH1A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL8998497 0.84 HRH4 (0.35) RAB9ACNR2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404852-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-26 US disclosed
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-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-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-7495014-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
EP-1789419-A1 GYRASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2007-05-30 EP disclosed
US-20060122196-A9 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 US disclosed
WO-2006022773-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-02 WO disclosed
US-20060025424-A1 Gyrase inhibitors and uses thereof CHARIFSON PAUL 2006-02-02 US disclosed
US-20050256136-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-11-17 US disclosed
EP-1592686-A1 GYRASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-11-09 EP disclosed
US-20050038247-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-02-17 US disclosed
WO-2005012292-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-10 WO disclosed
US-20040235886-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-25 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 (7 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-20060122196-A9 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B MLLT3 2533/4885MLLT1 1608/4885RIPK2 3623/4885
US-20120010222-A1 Gyrase Inhibitors and Uses Thereof TOP1, TOP2A, NQO2 MLLT3 2512/4885MLLT1 2068/4885RIPK2 4135/4885
US-20040235886-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B MLLT3 2522/4885MLLT1 1657/4885RIPK2 3613/4885
US-20060025424-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B MLLT3 2533/4885MLLT1 1608/4885RIPK2 3623/4885
US-20050256136-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, NQO2 MLLT3 2512/4885MLLT1 2068/4885RIPK2 4135/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B MLLT3 2522/4885MLLT1 1657/4885RIPK2 3613/4885
US-20050038247-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B MLLT3 2533/4885MLLT1 1608/4885RIPK2 3623/4885

“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.