SCHEMBL4872296

SCHEMBL4872296

O=C(N[C@H]1CCN(C(=O)O)C1)c1cc(F)cnc1Nc1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
USP30 Q70CQ3 2/20 0.39
BRD4 O60885 4/20 0.39
EPHX2 P34913 1/20 0.39
KDM5A P29375 1/20 0.38
EGFR P00533 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 2/20 0.37
CDK1 P06493 1/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNE1 P24864 1/20 0.37
BTK Q06187 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 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
SCHEMBL4879863 1.00 NPC1 (0.40) NPC1PDE4APDE4BPDE4DUSP30
SCHEMBL4772447 0.94 NPC1 (0.44) NPC1PDE4APDE4BPDE4DBRD4
SCHEMBL4879890 0.84 PDE4B (0.49) NPC1PDE4APDE4BPDE4DBRD4
SCHEMBL4879896 0.84 PDE4B (0.49) NPC1PDE4APDE4BPDE4DBRD4
SCHEMBL4770078 0.83 BRD4 (0.46) NPC1PDE4APDE4BPDE4DBRD4
SCHEMBL4882421 0.83 USP30 (0.47) NPC1USP30RAB9AJAK2JAK1
SCHEMBL19990920 0.77 CDK2 (0.49) NPC1USP30BRD4KDM5ACDK2
SCHEMBL18116016 0.77 CDK2 (0.49) NPC1USP30BRD4KDM5ACDK2
SCHEMBL4770418 0.75 DHODH (0.49) NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL18115907 0.72 CRBN (0.50) NPC1USP30KDM5ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A NPC1 4184/4885PDE4A 1/4885PDE4B 2/4885

“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.