SCHEMBL8999464

SCHEMBL8999464

CCNC(=O)Nc1nc2cc(-c3cnc(CN4CCOCC4)nc3)cc(-c3ccccn3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.41
GRK5 P34947 1/20 0.41
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
HPGDS O60760 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39

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
SCHEMBL8999489 0.91 ABL1 (0.44) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8999330 0.90 POLB (0.43) GRK5HPGDSTMEM97
SCHEMBL8999320 0.89 PIK3CA (0.44) ABL1GRK5MAPK1PIK3CAMAPK8
SCHEMBL10046837 0.88 AURKA (0.39) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL10046831 0.86 MAPK1 (0.44) ABL1GRK5MAPK1PIK3CAMAPK8
SCHEMBL8998619 0.86 KDM4E (0.43) ABL1GRK5MAPK1PIK3CAMAPK8
SCHEMBL12138694 0.85 ABL1 (0.41) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8998947 0.84 ABL1 (0.42) ABL1
SCHEMBL8998875 0.83 GRK5 (0.51) GRK5HPGDS
SCHEMBL8998567 0.83 ABL1 (0.43) ABL1PIK3CA

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 ABL1 1016/4885GRK5 1871/4885MAPK1 1536/4885
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B ABL1 460/4885GRK5 1650/4885MAPK1 3610/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B ABL1 460/4885GRK5 1650/4885MAPK1 3610/4885

“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.