SCHEMBL1553949

SCHEMBL1553949

CCNC(=O)Nc1ccc(-c2nc(C(=O)OCC)cs2)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 4/20 0.48
CLK1 P49759 1/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 2/20 0.44
ABL1 P00519 1/20 0.44
PIM1 P11309 1/20 0.44
AURKB Q96GD4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1552987 0.87 ALDH1A1 (0.50) ALDH1A1
SCHEMBL27768574 0.84 MAPK1 (0.42) MAPK1ABL1PIM1AURKB
SCHEMBL2079627 0.79 RAB9A (0.65) RAB9AGAANPC1CLK1MAPT
SCHEMBL30894521 0.79 RAB9A (0.62) RAB9AGAANPC1CLK1MAPT
SCHEMBL28564852 0.79 RAB9A (0.62) RAB9AGAANPC1CLK1MAPT
SCHEMBL21639031 0.78 RAB9A (0.60) RAB9AGAANPC1CLK1MAPT
SCHEMBL5342225 0.78 RAB9A (0.60) RAB9AGAANPC1CLK1MAPT
SCHEMBL1553536 0.78 TRPM8 (0.44) MAPTMAPK1ABL1PIM1AURKB
SCHEMBL10054630 0.78 RAB9A (0.59) RAB9AGAANPC1CLK1MAPT
SCHEMBL2133955 0.77

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 5 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-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 RAB9A 1867/4885GAA 214/4885NPC1 207/4885

“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.