SCHEMBL21659633

SCHEMBL21659633

CC(C)C[C@H](C(=O)N1CCN(c2ccc(F)cc2F)CC1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.62
ADA P00813 10/20 0.51
HDAC1 Q13547 1/20 0.49

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
SCHEMBL21659666 1.00 ADORA2A (0.62) ADORA2AADAHDAC1
SCHEMBL21659634 1.00 ADORA2A (0.62) ADORA2AADAHDAC1
SCHEMBL23868396 0.94 ADORA2A (0.61) ADORA2AADAHDAC1
SCHEMBL21659660 0.92 ADORA2A (0.62) ADORA2AADAHDAC1
SCHEMBL21659669 0.89 ADORA2A (0.67) ADORA2AADAHDAC1
SCHEMBL21659663 0.86 ADORA2A (0.53) ADORA2A
SCHEMBL21659702 0.86 ADA (0.65) ADORA2AADA
SCHEMBL21659691 0.82 ADORA2A (0.61) ADORA2AADA
SCHEMBL21480052 0.82 ADA (0.66) ADA
SCHEMBL21659304 0.81 ADORA2A (0.65) ADORA2AADAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 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 (1 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADA 412/4885HDAC1 1939/4885

“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.