SCHEMBL4439670

SCHEMBL4439670

NC(=O)CCOCCNC(=O)c1cnn2cc(Cc3ccc(Br)cc3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.41
KLKB1 P03952 1/20 0.37
PDPK1 O15530 1/20 0.36
PRKCZ Q05513 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
IRAK4 Q9NWZ3 6/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14048870 0.88 PDE2A (0.46) PDE2AKLKB1PDPK1PRKCZMARK2
SCHEMBL14033609 0.86 PDE2A (0.50) PDE2AKLKB1PDPK1PRKCZMARK2
SCHEMBL4433594 0.86 PDE2A (0.41) PDE2AKLKB1PDPK1PRKCZMARK2
SCHEMBL4437326 0.84 PDE2A (0.43) PDE2AKLKB1PDPK1PRKCZMARK2
SCHEMBL14033009 0.84 PDE2A (0.44) PDE2AKLKB1PDPK1PRKCZMARK2
SCHEMBL14033877 0.84 PDE2A (0.40) PDE2AKLKB1PDPK1PRKCZMARK2
SCHEMBL14033866 0.83 PDE2A (0.45) PDE2APDPK1PRKCZMARK2IRAK4
SCHEMBL14033882 0.81 PDE2A (0.43) PDE2APDPK1PRKCZMARK2IRAK4
SCHEMBL14033013 0.80 PDE2A (0.42) PDE2AKLKB1PDPK1PRKCZMARK2
SCHEMBL14033702 0.80 PDE2A (0.45) PDE2APDPK1PRKCZMARK2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP claimed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO claimed
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 2511/4885KLKB1 2540/4885PDPK1 272/4885

“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.