SCHEMBL5456480

SCHEMBL5456480

COc1ccc(Cn2cnc3c(Cl)nc(C(F)(F)F)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
CNR2 P34972 2/20 0.52
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
NR3C1 P04150 1/20 0.48
MET P08581 1/20 0.48
ADORA2A P29274 1/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
YTHDC1 Q96MU7 2/20 0.47
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL5461518 0.84 HSP90AA1 (0.53) CNR2HSP90AA1HSP90AB1NR3C1MET
SCHEMBL3821565 0.84 YTHDC1 (0.57) HSP90AA1HSP90AB1ADORA2AHDAC4HDAC1
SCHEMBL5471657 0.83 HSP90AA1 (0.54) CNR2HSP90AA1HSP90AB1NR3C1MET
SCHEMBL14441142 0.83 HSP90AB1 (0.54) CNR2HSP90AA1HSP90AB1NR3C1MET
SCHEMBL29366555 0.83 HSP90AA1 (0.54) CNR2HSP90AA1HSP90AB1NR3C1MET
SCHEMBL29366455 0.81 HSP90AB1 (0.71) HSP90AA1HSP90AB1ADORA2AHDAC4HDAC1
SCHEMBL3389606 0.81 HSP90AB1 (0.71) HSP90AA1HSP90AB1ADORA2AHDAC4HDAC1
SCHEMBL5460434 0.81 MET (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3133524 0.81 CCNE1 (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL23007800 0.80 CNR2 (0.44) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP PDE4A 414/4885PDE4B 337/4885PDE4C 496/4885

“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.