SCHEMBL2739677

SCHEMBL2739677

CCNC(=O)Nc1nc2cc(-c3cnn(C)c3)cc(Br)c2s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
PIK3CA P42336 2/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABL1 P00519 3/20 0.44
AURKB Q96GD4 3/20 0.42
PIK3CG P48736 1/20 0.41
NTRK1 P04629 1/20 0.41
YES1 P07947 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL2739678 0.89 MAPK1 (0.49) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12264111 0.88 MAPK1 (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2739676 0.85 MAPK1 (0.46) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL3659798 0.83 ABL1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL222918 0.82 PIK3CA (0.46) PIK3CANPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739670 0.81 PIK3CG (0.50) PIK3CANPC1RAB9ASMN1; SMN2ABL1
SCHEMBL220646 0.80 ABL1 (0.53) ABL1
SCHEMBL2739757 0.80
SCHEMBL15260270 0.79 NPC1 (0.43) PIK3CANPC1RAB9ASMN1; SMN2ABL1
SCHEMBL222045 0.79 PIK3CA (0.50) PIK3CANPC1RAB9ASMN1; SMN2ABL1

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
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-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-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

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 MAPK1 2034/4885PIK3CA 4048/4885MAPK8 2216/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 MAPK1 2262/4885PIK3CA 3650/4885MAPK8 2043/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA MAPK1 2970/4885PIK3CA 994/4885MAPK8 2171/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 MAPK1 2090/4885PIK3CA 4048/4885MAPK8 2226/4885

“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.