SCHEMBL1282902

SCHEMBL1282902

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 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
SCHEMBL1282710 0.94 ABL1 (0.35) ABL1PIK3CDPIK3CA
SCHEMBL1282642 0.92 ABL1 (0.36) ABL1
SCHEMBL1283055 0.92 ABL1 (0.38) ABL1
SCHEMBL1282545 0.91 ABL1 (0.38) ABL1PIK3CA
SCHEMBL1283022 0.90 ABL1 (0.36) ABL1
SCHEMBL1282570 0.88 PIK3CA (0.37) ABL1PIK3CDPIK3CA
SCHEMBL1283327 0.86 ABL1 (0.40) ABL1PIK3CA
SCHEMBL1283358 0.86 ABL1 (0.39) ABL1PIK3CD
SCHEMBL1283089 0.85 ABL1 (0.37) ABL1PIK3CA
SCHEMBL1283824 0.85 ABL1 (0.37) 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 537/4885PIK3CD 1471/4885PIK3CA 1700/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885PIK3CD 442/4885PIK3CA 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.