SCHEMBL26599165

SCHEMBL26599165

CC(=O)Nc1cc2ccn(C3COC3)c2cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.45
JAK1 P23458 1/20 0.45
MAP3K5 Q99683 1/20 0.41
GSK3B P49841 5/20 0.40
DYRK1A Q13627 5/20 0.40
WNT1 P04628 3/20 0.40
MAPK1 P28482 1/20 0.38
ABL1 P00519 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CA P42336 3/20 0.37
PRKDC P78527 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
MTOR P42345 2/20 0.37
PIK3R1 P27986 1/20 0.37
PTK2 Q05397 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK9 P50750 1/20 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
SCHEMBL26599197 0.91 MAPK1 (0.44) TYK2JAK1MAP3K5GSK3BDYRK1A
SCHEMBL26599203 0.91 MAPK1 (0.44) TYK2JAK1MAP3K5GSK3BDYRK1A
SCHEMBL25259412 0.89 MAP3K5 (0.51) TYK2JAK1MAP3K5GSK3BDYRK1A
SCHEMBL31185798 0.76 TYK2 (0.51) TYK2JAK1MAP3K5DYRK1AL3MBTL1
SCHEMBL26599153 0.76 TYK2 (0.51) TYK2JAK1MAP3K5DYRK1AL3MBTL1
SCHEMBL30633549 0.76 PIK3CB (0.51) TYK2JAK1MAPK1ABL1L3MBTL1
SCHEMBL26599818 0.71 TYK2 (0.47) TYK2JAK1DYRK1ACCNT1CDK4
SCHEMBL31185868 0.68 TYK2 (0.47) TYK2JAK1MAP3K5GSK3BDYRK1A
SCHEMBL26599338 0.68 TYK2 (0.47) TYK2JAK1MAP3K5GSK3BDYRK1A
SCHEMBL26599329 0.68 TYK2 (0.47) TYK2JAK1MAP3K5GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075221-B Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业股份有限公司 2024-08-23 CN disclosed
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 1/4885JAK1 2/4885MAP3K5 75/4885

“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.