SCHEMBL21797125

SCHEMBL21797125

Cc1cc2cnn(COCC[Si](C)(C)C)c2cc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
PIK3CD O00329 6/20 0.35
ALK Q9UM73 2/20 0.34
MAPT P10636 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
TP53 P04637 1/20 0.33
ENPP2 Q13822 1/20 0.33
PIK3CA P42336 2/20 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
SCHEMBL18399001 1.00 GPR119 (0.37) GPR119JAK2JAK3PTK2PIK3CD
SCHEMBL21797124 1.00 GPR119 (0.37) GPR119JAK2JAK3PTK2PIK3CD
SCHEMBL21796987 0.91 LRRK2 (0.38) GPR119PIK3CDMAPTTP53PIK3CA
SCHEMBL18398964 0.91 LRRK2 (0.38) GPR119PIK3CDMAPTTP53PIK3CA
SCHEMBL21796989 0.91 LRRK2 (0.38) GPR119PIK3CDMAPTTP53PIK3CA
SCHEMBL21796958 0.89 LRRK2 (0.34)
SCHEMBL21796591 0.80 LRRK2 (0.41)
SCHEMBL31433802 0.80 GPR119 (0.41) GPR119MAPT
SCHEMBL20438215 0.79 GPR119 (0.39) GPR119JAK2JAK3PTK2PIK3CD
SCHEMBL21796615 0.77 GPR119 (0.40) GPR119JAK2JAK3PTK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 GPR119 983/4885JAK2 853/4885JAK3 608/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 GPR119 1671/4885JAK2 2635/4885JAK3 2846/4885

“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.