SCHEMBL19066331

SCHEMBL19066331

O=c1[nH]c(=O)c2[nH]c(-c3cn[nH]c3)nc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.60
ADORA2A P29274 6/20 0.44
ADORA1 P30542 5/20 0.44
ADORA3 P0DMS8 1/20 0.44
XDH P47989 4/20 0.43
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.38
GDA Q9Y2T3 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ROCK2 O75116 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
LIG1 P18858 1/20 0.33

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
SCHEMBL378879 0.76 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3XDH
SCHEMBL23607984 0.73 ADORA2B (0.71) ADORA2BADORA2AXDHMAPTALDH1A1
SCHEMBL4927186 0.73 ADORA2B (0.70) ADORA2BXDHMAPTALDH1A1HPGD
SCHEMBL9899665 0.72 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3XDH
SCHEMBL31591418 0.72 PDE5A (0.47) ADORA2AXDHALDH1A1ROCK2
SCHEMBL1051055 0.72 ADORA2B (0.60) ADORA2BXDHMAPTACHEGDA
SCHEMBL1945525 0.71 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1946207 0.71 ADORA2B (0.67) ADORA2BADORA2AADORA1ADORA3
SCHEMBL5970527 0.70 ADORA2B (0.57) ADORA2BADORA2AXDHMAPTACHE
SCHEMBL1948396 0.69 ADORA2B (0.69) ADORA2BADORA2AADORA1ADORA3ALDH1A1

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 5 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
EP-3397640-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2018-11-07 EP disclosed
WO-2017114843-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-06 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 ADORA2B 3323/4885ADORA2A 3171/4885ADORA1 3211/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 ADORA2B 3323/4885ADORA2A 3171/4885ADORA1 3211/4885

“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.