SCHEMBL25107539

SCHEMBL25107539

COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.73
▸ PTK2 Q05397 5/20 0.73
▸ PIK3CB P42338 1/20 0.73
▸ MAPK8 P45983 1/20 0.73
▸ LRRK2 Q5S007 8/20 0.66
▸ MAP4K1 Q92918 1/20 0.53

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
SCHEMBL25107095 0.99 PTK2 (0.71) TTKPTK2PIK3CBMAPK8LRRK2
SCHEMBL25107841 0.98 PTK2 (0.69) TTKPTK2PIK3CBMAPK8LRRK2
SCHEMBL25107251 0.96 LRRK2 (0.69) TTKPTK2PIK3CBMAPK8LRRK2
SCHEMBL30198584 0.96 LRRK2 (0.69) TTKPTK2PIK3CBMAPK8LRRK2
Trifluoroacetic Acid SCHEMBL30198857 0.94 TTK (0.65) TTKPTK2PIK3CBMAPK8LRRK2
Trifluoroacetic Acid SCHEMBL30198813 0.93 LRRK2 (0.64) TTKPTK2PIK3CBMAPK8LRRK2
SCHEMBL25107235 0.92 PTK2 (0.65) TTKPTK2PIK3CBMAPK8LRRK2
SCHEMBL30199063 0.91 LRRK2 (0.65) TTKPTK2PIK3CBMAPK8LRRK2
SCHEMBL25107255 0.91 LRRK2 (0.65) TTKPTK2PIK3CBMAPK8LRRK2
SCHEMBL25107781 0.88 LRRK2 (0.68) TTKPTK2PIK3CBMAPK8LRRK2

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-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO CO., LTD. (KR) 2023-03-02 — — US claimed
US-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO CO., LTD. (KR) 2023-03-02 — — 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-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT LRRK2, BRCA1, PARK7 TTK 109/4885PTK2 92/4885PIK3CB 346/4885

“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.

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