SCHEMBL8998426

SCHEMBL8998426

CCOC(=O)Nc1nc2cc(-n3cnc(C(=O)NC(C)c4ccccn4)c3)cc(-c3ncccn3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.36
CNR2 P34972 1/20 0.36
WDR5 P61964 1/20 0.36
MAPK1 P28482 3/20 0.34
HTR2B P41595 1/20 0.34
PPARG P37231 1/20 0.34
RIPK1 Q13546 3/20 0.34
NOTUM Q6P988 1/20 0.33
PARP1 P09874 2/20 0.33
GRK5 P34947 1/20 0.33
YAP1 P46937 1/20 0.33
PDE2A O00408 1/20 0.33
PARP3 Q9Y6F1 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
SCHEMBL13933733 0.94 WDR5 (0.37) SLC40A1CNR2WDR5RIPK1NOTUM
SCHEMBL8998146 0.92 PDE2A (0.39) MAPK1PDE2A
SCHEMBL8998261 0.87 ROCK2 (0.41) MAPK1PDE2A
SCHEMBL8997986 0.86 MAPK1 (0.36) MAPK1PDE2A
SCHEMBL8998178 0.84 NOTUM (0.35) MAPK1NOTUM
SCHEMBL8998142 0.84 NOTUM (0.35) MAPK1RIPK1NOTUM
SCHEMBL13953887 0.84 NOTUM (0.34) MAPK1NOTUM
SCHEMBL1358286 0.83 MLLT3 (0.40) CNR2NOTUM
SCHEMBL8999556 0.83 MAPK13 (0.36) MAPK1NOTUM
SCHEMBL12229675 0.80 LMNA (0.32) MAPK1NOTUMPARP1

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 SLC40A1 3379/4885CNR2 4722/4885WDR5 3390/4885
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B SLC40A1 4137/4885CNR2 4710/4885WDR5 3967/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B SLC40A1 4137/4885CNR2 4710/4885WDR5 3967/4885

“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.