SCHEMBL25107841

SCHEMBL25107841

COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc(NC2CCC2)c2cc[nH]c2n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.69
▸ TTK P33981 3/20 0.69
▸ PIK3CB P42338 1/20 0.69
▸ MAPK8 P45983 1/20 0.69
▸ LRRK2 Q5S007 11/20 0.67
▸ MAP4K1 Q92918 1/20 0.54
▸ IGF1R P08069 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49

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 0.98 PTK2 (0.71) PTK2TTKPIK3CBMAPK8LRRK2
SCHEMBL25107539 0.98 TTK (0.73) PTK2TTKPIK3CBMAPK8LRRK2
SCHEMBL30198584 0.97 LRRK2 (0.69) PTK2TTKPIK3CBMAPK8LRRK2
SCHEMBL25107251 0.97 LRRK2 (0.69) PTK2TTKPIK3CBMAPK8LRRK2
SCHEMBL25107235 0.95 PTK2 (0.65) PTK2TTKPIK3CBMAPK8LRRK2
Trifluoroacetic Acid SCHEMBL30198813 0.92 LRRK2 (0.64) PTK2TTKPIK3CBMAPK8LRRK2
SCHEMBL30199063 0.91 LRRK2 (0.65) PTK2TTKPIK3CBMAPK8LRRK2
SCHEMBL25107255 0.91 LRRK2 (0.65) PTK2TTKPIK3CBMAPK8LRRK2
Trifluoroacetic Acid SCHEMBL30198857 0.91 TTK (0.65) PTK2TTKPIK3CBMAPK8LRRK2
SCHEMBL25107781 0.89 LRRK2 (0.68) PTK2TTKPIK3CBMAPK8LRRK2

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
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
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 PTK2 92/4885TTK 109/4885PIK3CB 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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