SCHEMBL21796901

SCHEMBL21796901

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.35
SPR P35270 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL21796992 0.89 GRM1 (0.40)
SCHEMBL21796522 0.83 LRRK2 (0.43) LRRK2PDE3BPDE3A
SCHEMBL21796920 0.80 PIM1 (0.42) LRRK2PDE3BPDE3A
SCHEMBL21796588 0.78 LRRK2 (0.37) LRRK2PDE3BPDE3A
SCHEMBL28619667 0.78 LRRK2 (0.46) LRRK2SPR
SCHEMBL29043554 0.70 NR3C1 (0.43)
SCHEMBL23478560 0.70 RXRA (0.44)
SCHEMBL28750127 0.68 ALDH1A1 (0.43)
SCHEMBL21796921 0.68 JAK2 (0.31)
SCHEMBL22753188 0.66 PDE3B (0.36) PDE3BPDE3A

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 3 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
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 LRRK2 1/4885SPR 1734/4885PDE3B 1423/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885SPR 2723/4885PDE3B 3040/4885

“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.