SCHEMBL1553909

SCHEMBL1553909

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.52
MAPK8 P45983 3/20 0.52
MAPK9 P45984 3/20 0.52
MAPK10 P53779 3/20 0.52
MAPK1 P28482 2/20 0.52
BRAF P15056 1/20 0.49
NAMPT P43490 1/20 0.48
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL1553943 0.89 NPC1 (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL12708163 0.85 PIK3CA (0.67) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL3189965 0.84 PIK3CA (0.68) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL1552446 0.83 SYK (0.52) NAMPTTP53LMNAMAPTTHRB
SCHEMBL4350943 0.82 PIK3CA (0.79) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL1553795 0.82 PIK3CA (0.53) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL1552537 0.79 LMNA (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL2551148 0.78 PIK3CA (0.47) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL1553404 0.77 PIK3CA (0.54) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4901644 0.76 TP53 (0.50) BRAFTP53LMNAMAPTTHRB

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 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.