SCHEMBL2760384

SCHEMBL2760384

CCNC(=O)Nc1nc2cc(-c3ccc(NC(C)=O)nc3)cc(-c3cnccn3)c2s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.46
▸ MAPK1 P28482 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ LIMK2 P53671 1/20 0.42
▸ TESK1 Q15569 1/20 0.42
▸ TESK2 Q96S53 1/20 0.42

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
SCHEMBL2760372 0.90 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2760420 0.90 NPC1 (0.47) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739690 0.89 PIK3CA (0.52) PIK3CA
SCHEMBL2739774 0.87 — —
SCHEMBL222002 0.87 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2LIMK1
SCHEMBL2739811 0.85 ABL1 (0.44) ABL1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10207346 0.85 PIK3CA (0.46) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL15259991 0.83 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2LIMK1
SCHEMBL10207896 0.83 MAPK1 (0.42) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL220751 0.82 ABL1 (0.47) ABL1MAPK1PIK3CANPC1RAB9A

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 12 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
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO 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
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-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 847/4885MAPK1 2034/4885PIK3CA 4048/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ABL1 1039/4885MAPK1 2262/4885PIK3CA 3650/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885MAPK1 2970/4885PIK3CA 994/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ABL1 931/4885MAPK1 2090/4885PIK3CA 4048/4885

“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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