SCHEMBL20437474

SCHEMBL20437474

Cc1cc2cnn(C3CCCCO3)c2cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.45
PDK4 Q16654 1/20 0.42
SCN9A Q15858 3/20 0.41
GPR119 Q8TDV5 2/20 0.40
TNK2 Q07912 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KIT P10721 1/20 0.38
HTR6 P50406 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL22723600 0.92 JAK1 (0.45) JAK1PDK4SCN9AGPR119TNK2
SCHEMBL21796999 0.92 RXRA (0.40) JAK1PDK4GPR119RXRARXRB
SCHEMBL21796837 0.91 TNF (0.46) JAK1PDK4SCN9ATNK2GRM5
SCHEMBL21796772 0.88 JAK1 (0.42) JAK1PDK4SCN9AGPR119TNK2
SCHEMBL23478560 0.88 RXRA (0.44) JAK1GRM5RXRARXRBRXRG
SCHEMBL23297984 0.87 RXRA (0.38) JAK1GPR119RXRARXRBRXRG
SCHEMBL24638317 0.86 RXRA (0.51) JAK1SCN9AGPR119TNK2GRM5
SCHEMBL21796569 0.86 NAMPT (0.45) JAK1PDK4SCN9AGPR119TNK2
SCHEMBL21894615 0.83 JAK1 (0.47) JAK1PDK4SCN9AKITHTR6
SCHEMBL23779872 0.83 JAK1 (0.43) JAK1PDK4SCN9AGRM5GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873471-A1 N-HETEROARYL INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2021-09-08 EP disclosed
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 CN disclosed
US-11034696-B2 Compounds for inhibiting LRRK2 kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-15 US disclosed
US-20210130339-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-06 US disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
US-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 US disclosed
US-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 US disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 US disclosed
WO-2018137619-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
WO-2018137593-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
WO-2018137607-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 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 (5 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-10858367-B2 Compounds LRRK2, PARK7, PINK1 JAK1 2813/4885PDK4 494/4885SCN9A 2329/4885
US-20210130339-A1 COMPOUNDS LRRK2, PARK7, PINK1 JAK1 2813/4885PDK4 494/4885SCN9A 2329/4885
US-11034696-B2 Compounds for inhibiting LRRK2 kinase activity LRRK2, BRSK2, MAPKAPK2 JAK1 392/4885PDK4 578/4885SCN9A 596/4885
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 JAK1 952/4885PDK4 186/4885SCN9A 2434/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 JAK1 2837/4885PDK4 459/4885SCN9A 2145/4885

“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.