SCHEMBL863108

SCHEMBL863108

O=[N+]([O-])c1c(OS(=O)(=O)C(F)(F)F)c2ncccc2n2nnnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
NPY1R P25929 6/20 0.33
NFKBIA P25963 2/20 0.32
RELA Q04206 2/20 0.32
SLC40A1 Q9NP59 1/20 0.32
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CTSB P07858 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ALOX12 P18054 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL10237130 0.85 PDE4D (0.37) PDE4DPDE4APDE4CNPY1RLMNA
SCHEMBL8637191 0.85 MAPT (0.36) PDE4DPDE4APDE4CLMNAMAPT
SCHEMBL12020787 0.80
SCHEMBL842477 0.75 NPY1R (0.36) PDE4DNPY1RLMNAMAPTKDM4E
SCHEMBL842306 0.75 MAPT (0.42) PDE4DRELALMNAMAPTKDM4E
SCHEMBL13588384 0.72 CYP1A2 (0.32) PDE4DNPY1RLMNAMAPTKDM4E
SCHEMBL14130855 0.68 TACR1 (0.38) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL23293473 0.65 PDE4A (0.36) PDE4DPDE4APDE4CMAPTKDM4E
SCHEMBL527357 0.64 KMT2A (0.49) PDE4DPDE4APDE4CLMNAMAPT
SCHEMBL3615001 0.64 MAPT (0.52) PDE4DPDE4APDE4CLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 PDE4D 1577/4885PDE4A 910/4885PDE4C 1075/4885

“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.