SCHEMBL21796992

SCHEMBL21796992

Cc1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc(-n2ncc3cc(C)c(C4=CCOCC4)cc32)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.40
GRM5 P41594 10/20 0.40
PDK4 Q16654 1/20 0.38
HTR6 P50406 1/20 0.37
JAK1 P23458 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 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
SCHEMBL21796901 0.89 LRRK2 (0.35)
SCHEMBL21796522 0.80 LRRK2 (0.43)
SCHEMBL21796920 0.76 PIM1 (0.42)
SCHEMBL22873816 0.76 JAK1 (0.39) GRM1GRM5PDK4JAK1GABRP
SCHEMBL21796588 0.75 LRRK2 (0.37)
SCHEMBL20437476 0.74 PDK4 (0.45) GRM1GRM5PDK4HTR6JAK1
SCHEMBL21871400 0.74 PDK4 (0.52) GRM1GRM5PDK4HTR6JAK1
SCHEMBL24152971 0.73 GRM1 (0.54) GRM1GRM5PDK4HTR6JAK1
SCHEMBL30208871 0.73 GRM1 (0.54) GRM1GRM5PDK4HTR6JAK1
SCHEMBL20437474 0.73 JAK1 (0.45) GRM1GRM5PDK4HTR6JAK1

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
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-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 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 (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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 GRM1 798/4885GRM5 1153/4885PDK4 186/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 GRM1 1076/4885GRM5 1771/4885PDK4 459/4885

“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.