SCHEMBL8999520

SCHEMBL8999520

CCOC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cc(CN4CCOCC4)ccn3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.46
POLB P06746 1/20 0.42
ACVR1 Q04771 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
CHUK O15111 1/20 0.40
MAPK8 P45983 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK2 P24941 1/20 0.40
AURKB Q96GD4 1/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40

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
SCHEMBL8998867 0.85 ABL1 (0.40) ABL1DYRK1A
SCHEMBL8999085 0.84 POLB (0.39) POLBTBK1ABL1CHUKMAPK8
SCHEMBL8998419 0.82 POLB (0.42) POLBABL1AURKAAURKB
SCHEMBL8999330 0.81 POLB (0.43) POLB
SCHEMBL10046824 0.81 NUDT1 (0.42) ABL1
SCHEMBL8999560 0.79 P4HTM (0.43) KITABL1GSK3BDYRK1A
SCHEMBL8998944 0.79 ABL1 (0.46) ABL1
SCHEMBL8999739 0.79 POLB (0.40) POLBABL1CHUKMAPK8CAMKK2
SCHEMBL8998585 0.79 POLB (0.42) POLBABL1CHUKMAPK8CAMKK2
SCHEMBL8998696 0.79 KIT (0.45) KITABL1BCR

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 KIT 3593/4885POLB 29/4885ACVR1 4618/4885
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B KIT 4688/4885POLB 12/4885ACVR1 4735/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B KIT 4688/4885POLB 12/4885ACVR1 4735/4885

“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.