SCHEMBL20416670

SCHEMBL20416670

CC(C)(C#N)c1cccc(CO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.47
JAK2 O60674 2/20 0.36
ROCK2 O75116 2/20 0.36
PRKCA P17252 2/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCD Q05655 2/20 0.36
ROCK1 Q13464 2/20 0.36
PRKACA P17612 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
JAK3 P52333 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.33
SYK P43405 1/20 0.32
KCNH2 Q12809 1/20 0.30
BACE1 P56817 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
SCHEMBL20436450 0.83 KCNH2 (0.34) MBOAT4IRAK4KCNH2BACE1
SCHEMBL536722 0.80 HCRTR1 (0.41) IRAK4
SCHEMBL23355664 0.80 IRAK4 (0.33) MBOAT4IRAK4KCNH2BACE1
SCHEMBL536792 0.79 HSD17B10 (0.33) IRAK4SYKKCNH2BACE1
SCHEMBL30320158 0.79 KCNH2 (0.35) IRAK4KCNH2BACE1
SCHEMBL23355870 0.79 GABRA5 (0.36) IRAK4KCNH2BACE1
SCHEMBL20416874 0.79 IRAK4 (0.34) IRAK4KCNH2BACE1
SCHEMBL20442161 0.79 KCNH2 (0.35) IRAK4KCNH2BACE1
SCHEMBL20890582 0.78 MBOAT4 (0.47) MBOAT4JAK2ROCK2PRKCAPRKCQ
SCHEMBL28521511 0.78 IRAK4 (0.36) IRAK4KCNH2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310082-A2 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS Arcus Biosciences, Inc. (US) 2024-01-24 EP disclosed
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 EP disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP 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-10399962-B2 Azolopyrimidine for the treatment of cancer-related disorders ARCUS BIOSCIENCES, INC. (US) 2019-09-03 US disclosed
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 US disclosed
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 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 (4 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 MBOAT4 4115/4885JAK2 1867/4885ROCK2 1465/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 MBOAT4 4382/4885JAK2 554/4885ROCK2 4161/4885
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 MBOAT4 4806/4885JAK2 973/4885ROCK2 3684/4885
US-10399962-B2 Azolopyrimidine for the treatment of cancer-related disorders ADORA2A, ADORA2B, ADORA1 MBOAT4 4806/4885JAK2 973/4885ROCK2 3684/4885

“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.