SCHEMBL1282545

SCHEMBL1282545

CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(CC)(C(=O)O)CC4)nc3)cc(-c3nccc(OC)n3)c2s1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.38
PIK3CG P48736 2/20 0.36
PIK3CA P42336 1/20 0.36
AURKB Q96GD4 1/20 0.35

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
SCHEMBL1283089 0.94 ABL1 (0.37) ABL1PIK3CGPIK3CAAURKB
SCHEMBL1283001 0.92 ABL1 (0.39) ABL1PIK3CGPIK3CA
SCHEMBL1282902 0.91 ABL1 (0.36) ABL1PIK3CA
SCHEMBL1283055 0.90 ABL1 (0.38) ABL1
SCHEMBL1283427 0.88 ABL1 (0.40) ABL1PIK3CGPIK3CAAURKB
SCHEMBL1283219 0.87 ABL1 (0.36) ABL1PIK3CGPIK3CA
SCHEMBL1283022 0.86 ABL1 (0.36) ABL1
SCHEMBL1282710 0.85 ABL1 (0.35) ABL1PIK3CA
SCHEMBL1283327 0.84 ABL1 (0.40) ABL1PIK3CA
SCHEMBL1283358 0.84 ABL1 (0.39) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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 (2 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS ABL1 537/4885PIK3CG 1394/4885PIK3CA 1700/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885PIK3CG 426/4885PIK3CA 994/4885

“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.