SCHEMBL14033009

SCHEMBL14033009

NCCNC(=O)c1cnn2cc(Cc3ccc(Br)cc3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.44
PDPK1 O15530 1/20 0.41
PRKCZ Q05513 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
PDE10A Q9Y233 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.37
MAOB P27338 1/20 0.36
KLKB1 P03952 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHEK1 O14757 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL14033866 0.90 PDE2A (0.45) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033882 0.87 PDE2A (0.43) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033609 0.87 PDE2A (0.50) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033702 0.86 PDE2A (0.45) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033013 0.86 PDE2A (0.42) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14048870 0.85 PDE2A (0.46) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL4439670 0.84 PDE2A (0.41) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033865 0.84 PDE2A (0.41) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033364 0.83 PDE2A (0.44) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033681 0.82 PDE2A (0.39) PDE2APDPK1PRKCZMARK2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 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-20080255153-A1 New compounds SCD, SCD5, FADS2 PDE2A 2511/4885PDPK1 272/4885PRKCZ 2748/4885

“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.