SCHEMBL26599338

SCHEMBL26599338

CC(=O)Nc1cc2c(Br)cn(C3CCOC3)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.47
MAP3K5 Q99683 1/20 0.44
DYRK1A Q13627 5/20 0.41
KCNH2 Q12809 4/20 0.41
JAK1 P23458 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
GSK3B P49841 2/20 0.40
PIK3CA P42336 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1F P30939 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HTR3A P46098 3/20 0.37

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
SCHEMBL31185868 1.00 TYK2 (0.47) TYK2MAP3K5DYRK1AKCNH2JAK1
SCHEMBL26599329 1.00 TYK2 (0.47) TYK2MAP3K5DYRK1AKCNH2JAK1
SCHEMBL26599153 0.91 TYK2 (0.51) TYK2MAP3K5DYRK1AKCNH2JAK1
SCHEMBL31185798 0.91 TYK2 (0.51) TYK2MAP3K5DYRK1AKCNH2JAK1
SCHEMBL25260883 0.88 MAP3K5 (0.54) TYK2MAP3K5DYRK1AKCNH2JAK1
SCHEMBL30511719 0.88 MAP3K5 (0.54) TYK2MAP3K5DYRK1AKCNH2JAK1
SCHEMBL26599263 0.82 TYK2 (0.43) TYK2DYRK1AKCNH2JAK1CDK4
SCHEMBL26599203 0.78 MAPK1 (0.44) TYK2MAP3K5DYRK1AJAK1CDK4
SCHEMBL26599197 0.78 MAPK1 (0.44) TYK2MAP3K5DYRK1AJAK1CDK4
SCHEMBL31167992 0.78 MAP3K5 (0.44) TYK2MAP3K5JAK1PIK3CAHTR1A

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-20230339977-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-10-26 US disclosed
CN-114075221-A Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2022-02-22 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 (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 1/4885MAP3K5 75/4885DYRK1A 35/4885

“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.