SCHEMBL1863506

SCHEMBL1863506

CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OC)c2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.64

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
SCHEMBL12630390 0.93 ABL1 (0.62) ABL1
SCHEMBL12630386 0.91 ABL1 (0.60) ABL1
SCHEMBL12630348 0.90 ABL1 (0.67) ABL1
SCHEMBL14097523 0.90 ABL1 (0.67) ABL1
SCHEMBL12630342 0.89 ABL1 (0.66) ABL1
SCHEMBL12630337 0.89 ABL1 (0.49) ABL1
SCHEMBL12666897 0.89 ABL1 (0.64) ABL1
SCHEMBL12630331 0.88 ABL1 (0.59) ABL1
SCHEMBL13408094 0.88 ABL1 (0.59) ABL1
SCHEMBL12630317 0.88 ABL1 (0.48) ABL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 WO disclosed
US-8426426-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-8426426-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-8426426-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-20110104207-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-05 US disclosed
US-20110104207-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-05 US disclosed
US-20110104207-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-05 US disclosed
US-7727992-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-7727992-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-7727992-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20100105701-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 US disclosed
US-20100105701-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 US disclosed
US-20100105701-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 US disclosed
EP-1511482-B1 2-UREIDO-6-HETEROARYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS GYRASE AND/OR TOPOISOMERASE IV INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS VERTEX PHARMA (US) 2006-11-15 EP disclosed
EP-1511482-A1 2-UREIDO-6-HETEROARYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS GYRASE AND/OR TOPOISOMERASE IV INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2005-03-09 EP disclosed
WO-2003105846-A1 2-UREIDO-6-HETEROARYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS GYRASE AND/OR TOPOISOMERASE IV INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-12-24 WO 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-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885
US-20100105701-A1 GYRASE INHIBITORS AND USES THEREOF GMPS, NQO2, TOP1 ABL1 510/4885
US-20110104207-A1 GYRASE INHIBITORS AND USES THEREOF GMPS, NQO2, TOP1 ABL1 510/4885

“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.