SCHEMBL26599263

SCHEMBL26599263

CC(=O)Nc1cc2c(B3OC(C)(C)C(C)(C)O3)cn([C@@H]3CCOC3)c2cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.43
DYRK1A Q13627 5/20 0.40
KCNH2 Q12809 4/20 0.40
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCND3 P30281 2/20 0.38
CDK6 Q00534 2/20 0.38
JAK1 P23458 1/20 0.38
GSK3B P49841 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1F P30939 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL26599818 0.92 TYK2 (0.47) TYK2DYRK1AKCNH2CDK4CCND1
SCHEMBL25437185 0.90 TYK2 (0.40) TYK2DYRK1AKCNH2JAK1GSK3B
SCHEMBL31185868 0.82 TYK2 (0.47) TYK2DYRK1AKCNH2CDK4CCND1
SCHEMBL26599338 0.82 TYK2 (0.47) TYK2DYRK1AKCNH2CDK4CCND1
SCHEMBL26599329 0.82 TYK2 (0.47) TYK2DYRK1AKCNH2CDK4CCND1
SCHEMBL30511737 0.78 TYK2 (0.46) TYK2JAK1HTR1AHTR1DHTR1F
SCHEMBL21330032 0.78 TYK2 (0.46) TYK2JAK1HTR1AHTR1DHTR1F
SCHEMBL26599444 0.77 RORC (0.37) TYK2JAK1GSK3BPIK3C3HTR1A
SCHEMBL26599197 0.74 MAPK1 (0.44) TYK2DYRK1ACDK4CCND1CCND3
SCHEMBL26599203 0.74 MAPK1 (0.44) TYK2DYRK1ACDK4CCND1CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339977-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-10-26 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 (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-20230339977-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND APPLICATION THEREOF TYK2, JAK1, JAK3 TYK2 1/4885DYRK1A 35/4885KCNH2 3128/4885

“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.