SCHEMBL2739815

SCHEMBL2739815

CCNC(=O)Nc1nc2cc(-c3ccc(CN4CCOCC4)cc3)cc(-c3ccc(CN4CCOCC4)cc3)c2s1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.49
▸ MTOR P42345 1/20 0.45
▸ HSP90AA1 P07900 5/20 0.44
▸ HSP90AB1 P08238 5/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL2739691 0.92 — —
SCHEMBL2739813 0.83 ABL1 (0.55) ABL1
SCHEMBL2739792 0.82 — —
SCHEMBL15260112 0.81 MTOR (0.43) ABL1MTOR
SCHEMBL15260067 0.80 MTOR (0.44) ABL1MTOR
SCHEMBL2739731 0.79 ABL1 (0.46) ABL1
SCHEMBL15260171 0.79 ABL1 (0.40) ABL1MTORAURKAAURKB
SCHEMBL15260341 0.79 ABL1 (0.40) ABL1MTORAURKAAURKB
SCHEMBL15260184 0.79 ABL1 (0.40) ABL1MTORAURKAAURKB
SCHEMBL15260192 0.79 MTOR (0.42) ABL1MTORAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 — — EP claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 — — US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 — — US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 — — US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 — — US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 — — US disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 — — EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 — — US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 — — US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 — — US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 — — US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 — — US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 — — US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 — — US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 — — 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 (4 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ABL1 847/4885MTOR 1463/4885HSP90AA1 3522/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ABL1 1039/4885MTOR 1275/4885HSP90AA1 3748/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885MTOR 279/4885HSP90AA1 107/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ABL1 931/4885MTOR 1502/4885HSP90AA1 3583/4885

“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.

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