SCHEMBL1553969

SCHEMBL1553969

CCNC(=O)Nc1nc(-c2ccc(C(=O)OC)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.54
ROCK2 O75116 10/20 0.54
RAB9A P51151 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
PKM P14618 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL1553464 0.88 ROCK2 (0.55) ROCK1ROCK2RAB9ALMNASMN1; SMN2
SCHEMBL1553095 0.87 MEN1 (0.54) ROCK1ROCK2RAB9ASMN1; SMN2MAPT
SCHEMBL22753353 0.85 ROCK2 (0.68) ROCK1ROCK2RAB9ALMNASMN1; SMN2
SCHEMBL24590300 0.80 MAPT (0.60) RAB9ALMNASMN1; SMN2MAPTMEN1
SCHEMBL3615150 0.80 MEN1 (0.55) RAB9ALMNASMN1; SMN2MAPTMEN1
SCHEMBL4956701 0.79 ADORA3 (0.74) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL21484779 0.79 ABL1 (0.64) ROCK1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL13357578 0.78 PARP1 (0.70) ROCK1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL1553199 0.77 MAPK1 (0.55) ROCK1ROCK2RAB9ASMN1; SMN2MAPT
SCHEMBL24590361 0.77 MEN1 (0.57) RAB9ALMNASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
CN-101627038-A Antibacterial polycyclic urea compounds ASTRAZENECA AB 2010-01-13 CN disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 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 (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-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 ROCK1 3270/4885ROCK2 4064/4885RAB9A 1867/4885

“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.