SCHEMBL22940745

SCHEMBL22940745

OCc1cccc(CO[C@H]2CCOC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.48
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
DCPS Q96C86 1/20 0.39
CXCR4 P61073 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ATF4 P18848 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
DRD4 P21917 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MCHR1 Q99705 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MAPK1 P28482 1/20 0.31
GRM5 P41594 2/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL28442285 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL1845253 0.87 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL1845258 0.87 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL20416885 0.86 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL22940755 0.86 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL18679939 0.86 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL22242037 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL536593 0.86 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL536592 0.86 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL18679940 0.86 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511745-B Pyrazolo [1,5-a ] [1, 3, 5] triazine-2-amine derivative, and preparation method and application thereof 江苏恒瑞医药股份有限公司 2022-05-27 CN disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed
US-20210032253-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE-2-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-04 US disclosed
CN-111511745-A Pyrazolo [1,5-a ] [1,3,5] triazine-2-amine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-08-07 CN 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 4/4885
US-20210032253-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE-2-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA3 5/4885ADORA2B 3/4885

“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.