SCHEMBL21389547

SCHEMBL21389547

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.51
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
TLR8 Q9NR97 1/20 0.47
PNP P00491 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TRAP1 Q12931 2/20 0.44
HSP90B1 P14625 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL21389526 0.82 BRD4 (0.54) TLR7BRD4BRD2BRD3BRDT
SCHEMBL7676540 0.79 BRD4 (0.51) TLR7BRD4BRD2BRD3BRDT
SCHEMBL4193079 0.77 PNP (0.52) TLR7BRD4PNPMEN1KMT2A
SCHEMBL7681629 0.75 PNP (0.80) TLR7BRD4BRD2BRD3BRDT
SCHEMBL21389578 0.73 MEN1 (0.83) BRD4BRD2BRD3BRDTMEN1
SCHEMBL4202515 0.72 PNP (0.53) TLR7BRD4PNPMEN1KMT2A
SCHEMBL19066311 0.72 ADORA2A (0.56) BRD4BRD2BRD3BRDTMEN1
SCHEMBL5641835 0.70 PNP (0.60) TLR7BRD4PNPMEN1KMT2A
SCHEMBL4624542 0.70 PNP (0.60) TLR7BRD4PNPMEN1KMT2A
SCHEMBL15923525 0.70 GAA (0.47) KMT2AATMALDH1A1TSHRMAPK1

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 TLR7 2946/4885BRD4 2/4885BRD2 6/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 TLR7 2946/4885BRD4 2/4885BRD2 6/4885

“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.