SCHEMBL21797010

SCHEMBL21797010

COc1nc(I)cc(N2CCN(C)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.64
▸ HTR3E A5X5Y0 1/20 0.49
▸ HTR3B O95264 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ HTR3D Q70Z44 1/20 0.49
▸ HTR3C Q8WXA8 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL20424151 0.87 HRH4 (0.48) HRH4KDM4EALDH1A1HPGDTSHR
SCHEMBL21796733 0.85 MEN1 (0.51) HRH4KDM4ETSHRHSD17B10
SCHEMBL21796978 0.83 HRH4 (0.46) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL18399245 0.83 MAPK1 (0.48) HRH4KDM4EALDH1A1HPGD
SCHEMBL18399194 0.83 HRH4 (0.44) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL22873669 0.82 HRH4 (0.66) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL2167265 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL2166695 0.77 HRH4 (0.70) HRH4HTR3AHRH3
SCHEMBL18398971 0.76 LRRK2 (0.41) HRH4HRH3
SCHEMBL21796860 0.76 CKS1B (0.47) HRH4ALDH1A1

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
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 HRH4 2905/4885HTR3E 928/4885HTR3B 649/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 HRH4 3918/4885HTR3E 2917/4885HTR3B 2523/4885

“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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