SCHEMBL21389526

SCHEMBL21389526

O=c1[nH]c(=O)n(Cc2ccc(Cl)cc2)c2nc(Br)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
BRD2 P25440 2/20 0.54
BRD3 Q15059 2/20 0.54
BRDT Q58F21 1/20 0.54
TLR7 Q9NYK1 8/20 0.52
TLR8 Q9NR97 1/20 0.52
PNP P00491 1/20 0.48
ATM Q13315 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TRAP1 Q12931 2/20 0.46
HSP90B1 P14625 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL5641835 0.89 PNP (0.60) BRD4TLR7PNPHTTMEN1
SCHEMBL7676540 0.83 BRD4 (0.51) BRD4BRD2BRD3BRDTTLR7
SCHEMBL21389547 0.82 TLR7 (0.51) BRD4BRD2BRD3BRDTTLR7
SCHEMBL21389545 0.77 BRD4 (0.62) BRD4BRD2BRD3BRDTATM
SCHEMBL13940893 0.77 ADORA2B (0.60) MEN1KMT2AALDH1A1
SCHEMBL7681629 0.77 PNP (0.80) BRD4BRD2BRD3BRDTTLR7
SCHEMBL12233275 0.76 ADORA2A (0.55) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL22105566 0.74 BRD4 (0.59) BRD4BRD2BRD3BRDTATM
SCHEMBL4624542 0.72 PNP (0.60) BRD4TLR7PNPHTTMEN1
SCHEMBL18207673 0.72 TLR7 (0.67) TLR7TLR8TRAP1HSP90B1

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-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
EP-3397640-B1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INST NAT SANTE RECH MED (FR) 2021-08-04 EP disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 BRD4 2/4885BRD2 6/4885BRD3 3/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 BRD4 2/4885BRD2 6/4885BRD3 3/4885

“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.