SCHEMBL4444836

SCHEMBL4444836

NC(=O)CNC(=O)c1cnn2cc(Cc3ccc(F)c(C(F)(F)F)c3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.43
NR3C2 P08235 1/20 0.42
GRM2 Q14416 1/20 0.41
GPR52 Q9Y2T5 3/20 0.40
VNN1 O95497 2/20 0.38
RPS6KB1 P23443 1/20 0.37
NR3C1 P04150 1/20 0.37
SCD O00767 1/20 0.35

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
SCHEMBL4434781 0.90 NR3C1 (0.47) PDE2ARPS6KB1NR3C1
SCHEMBL4439750 0.87 PDE2A (0.41) PDE2AGPR52
SCHEMBL4438159 0.86 PDE2A (0.44) PDE2ANR3C2GRM2GPR52NR3C1
SCHEMBL4437012 0.85 KLKB1 (0.42) PDE2ANR3C1
SCHEMBL14033024 0.85 GRM2 (0.42) PDE2ANR3C2GRM2GPR52VNN1
SCHEMBL4555759 0.83 GRM2 (0.41) PDE2ANR3C2GRM2GPR52VNN1
SCHEMBL14033661 0.83 GRM2 (0.41) PDE2ANR3C2GRM2GPR52VNN1
SCHEMBL14033169 0.82 PDE2A (0.42) PDE2A
SCHEMBL14033696 0.81 IRAK4 (0.42) PDE2A
SCHEMBL14033418 0.80 HTT (0.52) VNN1

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 2511/4885NR3C2 2692/4885GRM2 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.