SCHEMBL18399166

SCHEMBL18399166

CNC(=O)C1CN(c2cc(Cl)ncn2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.43
MAP4K4 O95819 2/20 0.42
RXRB P28702 5/20 0.41
PIK3CD O00329 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL21796840 1.00 GRIN2B (0.43) GRIN2BMAP4K4RXRBPIK3CDUSP30
SCHEMBL21796661 1.00 GRIN2B (0.43) GRIN2BMAP4K4RXRBPIK3CDUSP30
SCHEMBL20899405 0.86 SCN9A (0.42) MAP4K4PIK3CDUSP30
SCHEMBL20899406 0.86 SCN9A (0.42) MAP4K4PIK3CDUSP30
SCHEMBL22873464 0.86 SCN9A (0.42) MAP4K4PIK3CDUSP30
SCHEMBL28607925 0.85 KMO (0.44) MAP4K4PIK3CDUSP30
SCHEMBL21797145 0.85 KMO (0.44) MAP4K4PIK3CDUSP30
Formamide SCHEMBL28601016 0.80 KMO (0.40) MAP4K4PIK3CDUSP30
SCHEMBL21796691 0.80 LRRK2 (0.52) GRIN2BRXRBPIK3CD
SCHEMBL21796693 0.80 LRRK2 (0.52) GRIN2BRXRBPIK3CD

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 6 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
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 GRIN2B 274/4885MAP4K4 195/4885RXRB 4413/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 GRIN2B 389/4885MAP4K4 289/4885RXRB 4482/4885

“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.