SCHEMBL1684339

SCHEMBL1684339

CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(/C(C)=N/OCC(F)(F)F)c2s1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
ABL1 P00519 3/20 0.33
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL1283412 1.00 PIK3CD (0.35) PIK3CDABL1FGFR3KDR
SCHEMBL1282422 0.92 ABL1 (0.35) ABL1
SCHEMBL1282425 0.92 ABL1 (0.35) ABL1
SCHEMBL1283027 0.90 ABL1 (0.33) ABL1
SCHEMBL1283026 0.90 ABL1 (0.33) ABL1
SCHEMBL1282655 0.90 ABL1 (0.35) ABL1
SCHEMBL1282653 0.90 ABL1 (0.35) ABL1
SCHEMBL1282862 0.90 PIK3CG (0.34) ABL1
SCHEMBL1282859 0.90 PIK3CG (0.34) ABL1
SCHEMBL1283399 0.88 ABL1 (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 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 (1 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 PIK3CD 1471/4885ABL1 537/4885FGFR3 3719/4885

“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.