SCHEMBL7681629

SCHEMBL7681629

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.80
PDE4A P27815 3/20 0.61
ADORA2A P29274 3/20 0.61
PDE4B Q07343 3/20 0.61
PDE4C Q08493 3/20 0.61
PDE4D Q08499 3/20 0.61
MPO P05164 2/20 0.61
TPO P07202 2/20 0.61
ADORA3 P0DMS8 2/20 0.58
ADORA2B P29275 2/20 0.58
HPGD P15428 1/20 0.58
ADORA1 P30542 1/20 0.58
BLM P54132 1/20 0.58
PDE3A Q14432 1/20 0.58
HSD17B10 Q99714 1/20 0.58
BRD4 O60885 1/20 0.55
BRD2 P25440 1/20 0.55
BRD3 Q15059 1/20 0.55
BRDT Q58F21 1/20 0.55
CYP3A4 P08684 1/20 0.48

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
SCHEMBL9032111 0.89 PNP (1.00) PNPPDE4AADORA2APDE4BPDE4C
SCHEMBL7682667 0.86 PNP (0.60) PNPPDE4AADORA2APDE4BPDE4C
SCHEMBL28874054 0.84 PNP (0.72) PNPPDE4AADORA2APDE4BPDE4C
SCHEMBL27859109 0.79 PNP (0.79) PNPPDE4AADORA2APDE4BPDE4C
SCHEMBL21389526 0.77 BRD4 (0.54) PNPHPGDBRD4BRD2BRD3
SCHEMBL19945293 0.77 TLR7 (0.59) PNPBRD4BRD2BRD3BRDT
SCHEMBL7466316 0.76 ADORA2A (1.00) PNPPDE4AADORA2APDE4BPDE4C
SCHEMBL5515323 0.76 ADORA2A (0.71) PNPPDE4AADORA2APDE4BPDE4C
SCHEMBL17814735 0.76 PNP (0.57) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL1460860 0.76 MPO (1.00) PNPPDE4AADORA2APDE4BPDE4C

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 9 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
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO 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 PNP 810/4885PDE4A 1873/4885ADORA2A 3171/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 PNP 810/4885PDE4A 1873/4885ADORA2A 3171/4885

“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.