SCHEMBL20898477

SCHEMBL20898477

Cc1nc(Cl)cc(N2CC[C@@H](C(C)(C)O)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.48
CLK2 P49760 1/20 0.48
PRCP P42785 7/20 0.40
LMNA P02545 1/20 0.38
CCR6 P51684 1/20 0.37
CYP17A1 P05093 1/20 0.37
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
P2RX7 Q99572 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL20898476 1.00 LRRK2 (0.48) LRRK2CLK2PRCPLMNACCR6
SCHEMBL20898487 0.80 PRCP (0.54) LRRK2CLK2PRCPCCR6HRH4
SCHEMBL29741229 0.80 PRCP (0.54) LRRK2CLK2PRCPCCR6HRH4
SCHEMBL29740953 0.80 PRCP (0.54) LRRK2CLK2PRCPCCR6HRH4
SCHEMBL20898486 0.80 PRCP (0.54) LRRK2CLK2PRCPCCR6HRH4
SCHEMBL29829791 0.77 CLK2 (0.72) LRRK2CLK2PRCPP2RX7
SCHEMBL27130468 0.77 CLK2 (0.72) LRRK2CLK2PRCPP2RX7
SCHEMBL27028405 0.77 CLK2 (0.72) LRRK2CLK2PRCPP2RX7
SCHEMBL5429458 0.77 LMNA (0.46) CLK2LMNACYP17A1
SCHEMBL31182225 0.77 HRH4 (0.43) LRRK2CLK2PRCPHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308096-B1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-20240308980-A1 HETEROARYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-09-19 US disclosed
EP-4308096-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2024-01-24 EP disclosed
EP-3694331-B1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2022-11-16 EP disclosed
WO-2022197575-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2022-09-22 WO disclosed
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-16 US disclosed
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-16 US disclosed
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-06-24 US disclosed
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-06-24 US disclosed
EP-3694331-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
WO-2019074810-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2019074810-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 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 (3 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-20240308980-A1 HETEROARYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 LRRK2 1/4885CLK2 2/4885PRCP 2435/4885
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, BRSK2, CLK2 LRRK2 1/4885CLK2 3/4885PRCP 3610/4885
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 LRRK2 1/4885CLK2 3/4885PRCP 3610/4885

“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.