SCHEMBL23998166

SCHEMBL23998166

N#Cc1cccc(-c2n[nH]c(N)c2C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
ADORA1 P30542 7/20 0.58
ADORA2B P29275 5/20 0.48
IDO1 P14902 2/20 0.48
CLK4 Q9HAZ1 1/20 0.46
XDH P47989 1/20 0.46
ATM Q13315 1/20 0.45
MAOB P27338 1/20 0.44
MAP4K4 O95819 1/20 0.43
TDO2 P48775 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL30250859 1.00 ADORA2A (0.58) ADORA2AADORA1ADORA2BIDO1CLK4
SCHEMBL15214874 0.83 ADORA1 (0.50) ADORA2AADORA1ADORA2BATMCDK5
SCHEMBL2645516 0.82 ADORA1 (0.58) ADORA2AADORA1ADORA2BXDHCDK5
SCHEMBL5501933 0.81 ADORA1 (0.64) ADORA2AADORA1ADORA2BTP53HPGD
SCHEMBL10360609 0.80 ATM (0.44) ADORA2AADORA1ADORA2BATMCDK5
SCHEMBL18866750 0.80 ADORA2A (0.52) ADORA2AADORA1ADORA2BMAOBCDK5
SCHEMBL5501424 0.77 LMNA (0.54) IDO1ATMHPGD
SCHEMBL7395177 0.76 IDO1 (0.46) ADORA2AADORA1IDO1CLK4XDH
SCHEMBL17696918 0.75 AURKA (0.60) ADORA2AADORA1IDO1CLK4TDO2
SCHEMBL14809869 0.75 ADORA2A (0.58) ADORA2AADORA1ADORA2BIDO1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617796-B2 Antagonists of the adenosine A2a receptor JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-115996929-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2023-04-21 CN disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 EP disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 WO disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 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-12617796-B2 Antagonists of the adenosine A2a receptor ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA1 4/4885ADORA2B 2/4885
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA2B 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.