SCHEMBL1553464

SCHEMBL1553464

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.55
ROCK1 Q13464 7/20 0.55
CSNK2A1 P68400 2/20 0.54
RAB9A P51151 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 3/20 0.53
ADORA3 P0DMS8 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL1553969 0.88 ROCK1 (0.54) ROCK2ROCK1RAB9AMAPTADORA3
SCHEMBL22753353 0.87 ROCK2 (0.68) ROCK2ROCK1RAB9AHTTKDM4E
SCHEMBL1553199 0.86 MAPK1 (0.55) ROCK2ROCK1CSNK2A1RAB9AHTT
SCHEMBL1474211 0.79 CSNK2A1 (0.63) CSNK2A1RAB9AHTTKDM4EPOLB
SCHEMBL1553095 0.77 MEN1 (0.54) ROCK2ROCK1RAB9AHTTMAPT
SCHEMBL1475441 0.76 CSNK2A1 (0.59) CSNK2A1RAB9AHTTKDM4EPOLB
SCHEMBL13206963 0.76 SCD (0.82) CSNK2A1RAB9AMAPTADORA3MEN1
SCHEMBL1553404 0.75 PIK3CA (0.54) ADORA3MAPK1
SCHEMBL10811295 0.75 GSTO1 (0.72) ROCK2ROCK1RAB9AHTTKDM4E
SCHEMBL10813540 0.74 MAPT (0.88) ROCK2ROCK1RAB9AHTTMAPT

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 6 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
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO 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 ROCK2 4064/4885ROCK1 3270/4885CSNK2A1 1692/4885

“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.