SCHEMBL22658732

SCHEMBL22658732

COc1cc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)ccc1Nc1nc(NC2CCC2)c2c(Cl)c[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.55
▸ TTK P33981 6/20 0.53
▸ PIK3CB P42338 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ BTK Q06187 2/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ ALK Q9UM73 3/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 1/20 0.44

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
SCHEMBL29409872 1.00 LRRK2 (0.55) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658355 0.98 LRRK2 (0.55) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409855 0.98 LRRK2 (0.55) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658452 0.97 LRRK2 (0.54) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409864 0.97 LRRK2 (0.54) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658768 0.95 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409885 0.95 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL24556854 0.93 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409876 0.93 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658469 0.93 LRRK2 (0.52) 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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