SCHEMBL22873623

SCHEMBL22873623

COc1nc(Cl)cc([C@H]2C[C@@H](OCc3ccccc3)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ NAAA Q02083 3/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ CARM1 Q86X55 1/20 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
SCHEMBL18399230 1.00 MEN1 (0.36) MEN1MAPTTSHRKMT2AATM
SCHEMBL22873624 1.00 MEN1 (0.36) MEN1MAPTTSHRKMT2AATM
SCHEMBL22873628 0.85 MEN1 (0.36) MEN1MAPTTSHRKMT2AATM
SCHEMBL22873629 0.85 MEN1 (0.36) MEN1MAPTTSHRKMT2AATM
SCHEMBL18399221 0.85 MEN1 (0.36) MEN1MAPTTSHRKMT2AATM
SCHEMBL18399130 0.85 CTSL (0.36) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL21796852 0.85 CTSL (0.36) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL21796656 0.85 CTSL (0.36) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL24156138 0.78 CTSL (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21384364 0.78 CTSL (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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 2 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
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 — — EP 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 (1 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 MEN1 4441/4885MAPT 90/4885TSHR 4139/4885

“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.

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