SCHEMBL4759580

SCHEMBL4759580

Nc1nc2c(cnn2CCO)c2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.76
ADORA1 P30542 8/20 0.76
KDM4E B2RXH2 1/20 0.76
NPC1 O15118 1/20 0.76
ALDH1A1 P00352 1/20 0.76
TP53 P04637 1/20 0.76
CYP3A4 P08684 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
HPGD P15428 1/20 0.76
ALOX15 P16050 1/20 0.76
MAPK1 P28482 1/20 0.76
ADORA2B P29275 1/20 0.76
RAB9A P51151 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
HSD17B10 Q99714 1/20 0.76
HDAC1 Q13547 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69

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
SCHEMBL12972222 0.90 ADORA2A (0.77) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL13853059 0.89 ADORA2A (0.76) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL13904673 0.89 ADORA2A (0.76) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL23691785 0.88 ADORA2A (0.85) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL5333130 0.87 ADORA2A (0.76) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL14922330 0.87 ADORA2A (0.76) ADORA2AADORA1KDM4ENPC1ALDH1A1
Sch-58261 SCHEMBL537287 0.86 ADORA2A (1.00) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL21833054 0.86 ADORA2A (0.71) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL7333945 0.86 ADORA2A (0.71) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL7339226 0.86 ADORA2A (1.00) ADORA2AADORA1KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ITEOS BELGIUM S A (BE) 2023-03-30 US disclosed
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers iTeos Belgium SA (BE) 2022-08-30 US disclosed
US-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2020-04-02 US disclosed
US-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2020-04-02 US disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 US disclosed
WO-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed
WO-2000015231-A1 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RESEARCH INC. (US) 2000-03-23 WO disclosed
WO-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 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 (6 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-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 2990/4885
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 2990/4885
US-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885KDM4E 4280/4885
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 2990/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885KDM4E 4280/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885KDM4E 4491/4885

“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.