SCHEMBL21832275

SCHEMBL21832275

Nc1nc(NCC=O)nc2nc(-c3ccco3)nn12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.71
ADORA1 P30542 8/20 0.71
ADORA3 P0DMS8 6/20 0.71
ADORA2B P29275 4/20 0.71
HDAC1 Q13547 6/20 0.64
HDAC6 Q9UBN7 6/20 0.64
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
SCHEMBL9327002 0.89 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL9325869 0.85 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL9327300 0.84 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL9329035 0.84 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL9327307 0.83 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL7834626 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL21936929 0.83 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL29853688 0.82 ADORA2A (0.85) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL9327262 0.82 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL9327281 0.81 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BHDAC1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 3/4885ADORA3 4/4885
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 4/4885
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 4/4885

“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.