SCHEMBL4978407

SCHEMBL4978407

CCN(CC)CC.O=C(O)Cn1cnc2cccc(Br)c21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.46
CSNK2A1 P68400 2/20 0.46
PTGS2 P35354 2/20 0.45
PRPS1 P60891 1/20 0.39
ADORA2B P29275 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
APAF1 O14727 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3038500 0.92 CSNK2A2 (0.53) CSNK2A2CSNK2A1PTGS2PRPS1ADORA2B
SCHEMBL3035802 0.80 FGFR1 (0.50) CSNK2A2CSNK2A1PTGS2ADORA2BSMN1; SMN2
SCHEMBL3045527 0.80 FGFR1 (0.50) CSNK2A2CSNK2A1PTGS2ADORA2BSMN1; SMN2
SCHEMBL4972896 0.79 KDM4E (0.41) CSNK2A2CSNK2A1PTGS2EGLN3SMN1; SMN2
SCHEMBL3041706 0.78 EGLN3 (0.60) EGLN3APAF1CYP3A4CYP2D6CYP2C9
SCHEMBL3042764 0.77 PTGS2 (0.48) CSNK2A2CSNK2A1PTGS2ADORA2BEGLN3
SCHEMBL14291770 0.76 PTGS2 (0.49) CSNK2A2CSNK2A1PTGS2ADORA2BEGLN3
SCHEMBL306478 0.75 PTGS2 (0.46) CSNK2A2CSNK2A1PTGS2ADORA2BEGLN3
SCHEMBL306565 0.75 PTGS2 (0.48) CSNK2A2CSNK2A1PTGS2PRPS1ADORA2B
SCHEMBL308328 0.75 PTGS2 (0.48) CSNK2A2CSNK2A1PTGS2ADORA2BEGLN3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CSNK2A2 1386/4885CSNK2A1 1520/4885PTGS2 1626/4885

“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.