SCHEMBL1553940

SCHEMBL1553940

CCNC(=O)Nc1ccc(-c2nc(C(=O)NCCOC)c(C(=O)OCC)s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.42
MAPK1 P28482 2/20 0.42
AURKB Q96GD4 2/20 0.42
PIM1 P11309 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
TRPM8 Q7Z2W7 4/20 0.40
YES1 P07947 1/20 0.39
HIPK1 Q86Z02 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1553928 0.93 ABL1 (0.41) ABL1MAPK1AURKBPIM1TRPM8
SCHEMBL1553536 0.93 TRPM8 (0.44) ABL1MAPK1AURKBPIM1TRPM8
SCHEMBL1552854 0.91 NPC1 (0.44) ABL1MAPK1AURKBPIM1TRPM8
SCHEMBL1553526 0.90 ABL1 (0.44) ABL1MAPK1AURKBPIM1PIK3CD
SCHEMBL1553282 0.90 MAPK1 (0.40) ABL1MAPK1AURKBPIM1TRPM8
SCHEMBL4948423 0.90 MAPK1 (0.40) ABL1MAPK1AURKBPIM1TRPM8
SCHEMBL1553558 0.89 MAPK1 (0.43) ABL1MAPK1AURKBPIM1PIK3CD
SCHEMBL1553983 0.87 ABL1 (0.41) ABL1MAPK1AURKBPIM1TRPM8
SCHEMBL1553634 0.87 MAPK1 (0.40) ABL1MAPK1AURKBPIM1TRPM8
SCHEMBL1553343 0.86 TRPM8 (0.41) ABL1MAPK1AURKBPIM1TRPM8

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 7 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
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 ABL1 261/4885MAPK1 1218/4885AURKB 2825/4885

“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.