SCHEMBL3702349

SCHEMBL3702349

CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.41
ADORA2B P29275 5/20 0.41
ADORA3 P0DMS8 2/20 0.41
PDE4B Q07343 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
HDAC4 P56524 3/20 0.40
CFTR P13569 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PARP1 P09874 2/20 0.39
SYK P43405 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL7492843 1.00 ADORA2A (0.41) ADORA2AADORA2BADORA3PDE4BPDE11A
SCHEMBL3786194 0.96 PARP1 (0.39) ADORA2AADORA2BADORA3PDE4BPDE11A
SCHEMBL3688495 0.94 CFTR (0.37) ADORA2AADORA2BADORA3PDE4BPDE11A
SCHEMBL3683862 0.90 TYRO3 (0.38) ADORA2AADORA2BHDAC4HDAC6SYK
SCHEMBL7500241 0.90 TYRO3 (0.38) ADORA2AADORA2BHDAC4HDAC6SYK
SCHEMBL3790727 0.89 EPHX2 (0.38) ADORA2AADORA2BHDAC4HDAC6TYRO3
SCHEMBL3790725 0.89 EPHX2 (0.38) ADORA2AADORA2BHDAC4HDAC6TYRO3
SCHEMBL13228548 0.88 EPHX2 (0.34) ADORA2AADORA2BADORA3PDE4BPDE11A
SCHEMBL3792581 0.88 EPHX2 (0.34) ADORA2AADORA2BADORA3PDE4BPDE11A
SCHEMBL7496017 0.88 KDM5B (0.41)

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 ADORA2A 1016/4885ADORA2B 1486/4885ADORA3 1474/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ADORA2A 1016/4885ADORA2B 1486/4885ADORA3 1474/4885

“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.