SCHEMBL24556848

SCHEMBL24556848

COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc(N[C@H]2CCOC2)c2c(Cl)c[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.55
▸ TTK P33981 5/20 0.49
▸ BTK Q06187 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ PTK2 Q05397 2/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ INSR P06213 3/20 0.43
▸ ALK Q9UM73 2/20 0.43

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
SCHEMBL29409911 1.00 LRRK2 (0.55) LRRK2TTKBTKCLK1CLK2
SCHEMBL22658974 1.00 LRRK2 (0.55) LRRK2TTKBTKCLK1CLK2
SCHEMBL22658972 1.00 LRRK2 (0.55) LRRK2TTKBTKCLK1CLK2
SCHEMBL29409853 1.00 LRRK2 (0.55) LRRK2TTKBTKCLK1CLK2
SCHEMBL24556851 0.96 LRRK2 (0.57) LRRK2TTKBTKCLK1CLK2
SCHEMBL29409856 0.96 LRRK2 (0.57) LRRK2TTKBTKCLK1CLK2
SCHEMBL22658469 0.95 LRRK2 (0.52) LRRK2TTKBTKCLK1CLK2
SCHEMBL22658499 0.95 LRRK2 (0.52) LRRK2TTKBTKCLK1CLK2
SCHEMBL22658470 0.95 LRRK2 (0.52) LRRK2TTKBTKCLK1CLK2
SCHEMBL29409857 0.95 LRRK2 (0.52) LRRK2TTKBTKCLK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-30 — — 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-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, PINK1 LRRK2 1/4885TTK 1820/4885BTK 1459/4885

“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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