SCHEMBL22659047

SCHEMBL22659047

COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc(NC2CC2)c2c(Cl)c[nH]c2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.58
▸ TTK P33981 7/20 0.54
▸ PIK3CB P42338 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ PTK2 Q05397 1/20 0.49
▸ BTK Q06187 1/20 0.47
▸ SYK P43405 1/20 0.46
▸ CLK1 P49759 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL29409862 1.00 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409856 0.98 LRRK2 (0.57) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL24556851 0.98 LRRK2 (0.57) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409885 0.97 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658768 0.97 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL24556854 0.97 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409876 0.97 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL24556846 0.96 TTK (0.59) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409878 0.96 TTK (0.59) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658452 0.95 LRRK2 (0.54) LRRK2TTKPIK3CBMAPK8PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479847-B2 Pyrrolopyrimidine inhibitors of wild-type and mutant forms of LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-11-25 — — US disclosed
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-30 — — US disclosed
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-30 — — US disclosed
WO-2020232332-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 — — WO 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 (2 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-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, PINK1 LRRK2 1/4885TTK 1820/4885PIK3CB 288/4885
US-12479847-B2 Pyrrolopyrimidine inhibitors of wild-type and mutant forms of LRRK2 LRRK2, PARK7, PINK1 LRRK2 1/4885TTK 1820/4885PIK3CB 288/4885

“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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