SCHEMBL20898976

SCHEMBL20898976

Cc1nc(Cl)cc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.46
▸ ACACB O00763 6/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ RET P07949 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ OXTR P30559 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KRAS P01116 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ SCD5 Q86SK9 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
SCHEMBL1280129 0.84 GPR119 (0.56) GPR119RETMEN1KMT2A
SCHEMBL23763271 0.81 GPR119 (0.43) GPR119ACACBCYP11B2SCD5
SCHEMBL5427926 0.80 CKS1B (0.53) GPR119MEN1KMT2A
SCHEMBL14780105 0.80 CYP11B2 (0.47) GPR119ACACBEIF2AK4RETEGLN2
SCHEMBL3486596 0.79 GPR119 (0.72) GPR119
SCHEMBL22470063 0.78 KMT2A (0.43) GPR119EIF2AK4RETEGLN2CYP11B2
SCHEMBL30327758 0.76 CYP11B2 (0.45) ACACBEIF2AK4RETCYP11B2PARP1
SCHEMBL20510354 0.76 EGLN2 (0.49) GPR119ACACBRETEGLN2CYP11B2
SCHEMBL20469052 0.76 CYP11B2 (0.51) GPR119ACACBRETCYP11B2SCD5
SCHEMBL30327616 0.76 CYP11B2 (0.46) GPR119ACACBEIF2AK4CYP11B2PARP1

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 5 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
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
EP-3694330-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2020-08-19 — — EP 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 (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-11161854-B2 Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, GRK2, CLK2 GPR119 658/4885ACACB 3404/4885EIF2AK4 66/4885
US-20210188863-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, GRK2, CLK2 GPR119 658/4885ACACB 3404/4885EIF2AK4 66/4885

“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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