SCHEMBL4438159

SCHEMBL4438159

CC(=O)NCCNC(=O)c1cnn2cc(Cc3ccc(F)c(C(F)(F)F)c3)cnc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.44
GPR52 Q9Y2T5 5/20 0.44
GRM2 Q14416 1/20 0.39
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.37
RAF1 P04049 1/20 0.37
SCD O00767 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
SCHEMBL14033742 0.88 PDE2A (0.40) PDE2AGPR52GRM2NR3C2RAF1
SCHEMBL4444836 0.86 PDE2A (0.43) PDE2AGPR52GRM2NR3C1NR3C2
SCHEMBL14033024 0.84 GRM2 (0.42) PDE2AGPR52GRM2NR3C2
SCHEMBL4555759 0.83 GRM2 (0.41) PDE2AGPR52GRM2NR3C1NR3C2
SCHEMBL14033418 0.80 HTT (0.52)
SCHEMBL4444670 0.79 NR3C1 (0.43) PDE2ANR3C1SCD
SCHEMBL4555621 0.77 GPR52 (0.50) PDE2AGPR52
SCHEMBL14033661 0.77 GRM2 (0.41) PDE2AGPR52GRM2NR3C2SCD
SCHEMBL4434781 0.76 NR3C1 (0.47) PDE2ANR3C1
SCHEMBL14033706 0.75 GPR52 (0.41) PDE2AGPR52

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 7 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
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP disclosed
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
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 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-20080255153-A1 New compounds SCD, SCD5, FADS2 PDE2A 2511/4885GPR52 1409/4885GRM2 3318/4885

“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.