SCHEMBL20899409

SCHEMBL20899409

C[C@H]1CN(c2cc(Cl)ncn2)CCN1C1COC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.47
▸ OGA O60502 1/20 0.41
▸ MAP3K12 Q12852 1/20 0.40
▸ CLK2 P49760 1/20 0.39
▸ CXCR3 P49682 4/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 1/20 0.33

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
SCHEMBL23523535 1.00 LRRK2 (0.47) LRRK2OGAMAP3K12CLK2CXCR3
SCHEMBL23554662 1.00 LRRK2 (0.47) LRRK2OGAMAP3K12CLK2CXCR3
SCHEMBL20898520 0.90 LRRK2 (0.50) LRRK2OGAMAP3K12CLK2CXCR3
SCHEMBL20899007 0.90 LRRK2 (0.50) LRRK2OGAMAP3K12CLK2CXCR3
SCHEMBL25142006 0.90 LRRK2 (0.50) LRRK2OGAMAP3K12CLK2CXCR3
SCHEMBL30477467 0.90 LRRK2 (0.50) LRRK2OGAMAP3K12CLK2CXCR3
SCHEMBL30477436 0.90 LRRK2 (0.50) LRRK2OGAMAP3K12CLK2CXCR3
SCHEMBL23554883 0.83 LRRK2 (0.45) LRRK2OGAJAK2TYK2
SCHEMBL20899483 0.83 LRRK2 (0.45) LRRK2OGAJAK2TYK2
SCHEMBL25141914 0.83 LRRK2 (0.45) LRRK2OGAJAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694330-B1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-19 — — EP disclosed
EP-3694330-B1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-19 — — 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
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-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-02 — — US disclosed
US-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-02 — — US disclosed
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-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
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-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-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
WO-2019074809-A1 INDAZOLYL-SPIRO[2.2]PENTANE-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 (4 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-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, GRK2, CLK2 LRRK2 1/4885OGA 2564/4885MAP3K12 156/4885
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, BRSK2, CLK2 LRRK2 1/4885OGA 2235/4885MAP3K12 120/4885
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, GRK2, CLK2 LRRK2 1/4885OGA 2564/4885MAP3K12 156/4885
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 LRRK2 1/4885OGA 2235/4885MAP3K12 120/4885

“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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