SCHEMBL1553795

SCHEMBL1553795

CCNC(=O)Nc1cccc(-c2cccc(C(=O)N(C)C)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.53
MAPK8 P45983 3/20 0.53
MAPK9 P45984 3/20 0.53
MAPK10 P53779 3/20 0.53
MAPK1 P28482 2/20 0.53
CNR1 P21554 5/20 0.46
CNR2 P34972 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAP4K1 Q92918 1/20 0.44
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
CDK8 P49336 1/20 0.41
FYN P06241 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
SCHEMBL12708163 0.86 PIK3CA (0.67) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL3189965 0.85 PIK3CA (0.68) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL1553909 0.82 PIK3CA (0.52) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL1553404 0.78 PIK3CA (0.54) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL13702370 0.75 CDK8 (0.54) MAPK1CYP3A4MAP4K1CDK8
SCHEMBL1553943 0.74 NPC1 (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL12269983 0.74 KEAP1 (0.50) CYP3A4MAP4K1KEAP1NFE2L2FYN
SCHEMBL1552410 0.74 PIK3CA (0.42) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL2550715 0.71 EPHB4 (0.48) PIK3CAMAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL14860482 0.71 EPHB4 (0.47) PIK3CAMAPK8MAPK9MAPK10

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 9 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
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
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
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 PIK3CA 1416/4885MAPK8 1915/4885MAPK9 1138/4885

“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.