SCHEMBL4437022

SCHEMBL4437022

O=C(NCCO)c1cnn2cc(Cc3ccc(Cl)c(OC(F)(F)F)c3)cnc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.50
GPR52 Q9Y2T5 7/20 0.42
KDM4A O75164 2/20 0.41
KDM5A P29375 2/20 0.41
IRAK4 Q9NWZ3 4/20 0.41
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HTR2B P41595 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL4439128 0.91 PDE2A (0.48) PDE2AGPR52KDM4AKDM5AIRAK4
SCHEMBL14033150 0.87 KDM5A (0.53) PDE2AKDM4AKDM5AIRAK4PDE3A
SCHEMBL4555621 0.84 GPR52 (0.50) PDE2AGPR52IRAK4PDE10AJAK2
SCHEMBL4555125 0.81 IRAK4 (0.43) PDE2AIRAK4JAK2
SCHEMBL14033866 0.78 PDE2A (0.45) PDE2AGPR52IRAK4PDE10AJAK2
SCHEMBL14048912 0.78 PDE2A (0.44) PDE2AIRAK4PDE10A
SCHEMBL14033688 0.77 PDE2A (0.46) PDE2AIRAK4
SCHEMBL4553722 0.77 IRAK4 (0.43) PDE2AIRAK4
SCHEMBL14033858 0.77 PDE2A (0.42) PDE2AIRAK4JAK2
SCHEMBL14033167 0.77 PDE2A (0.41) PDE2AIRAK4

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 2511/4885GPR52 1409/4885KDM4A 2198/4885

“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.