SCHEMBL17076830

SCHEMBL17076830

Nc1ccc(C(=O)N2CCOCC2)cc1OC1CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.52
▸ HPGD P15428 2/20 0.51
▸ LRRK2 Q5S007 4/20 0.51
▸ PKM P14618 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.47
▸ PHGDH O43175 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSP90AA1 P07900 2/20 0.45
▸ HSP90AB1 P08238 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL17076818 0.95 LRRK2 (0.50) HRH3HPGDLRRK2PKMGLA
SCHEMBL15651455 0.95 LRRK2 (0.52) HRH3HPGDLRRK2PKMGLA
SCHEMBL15650742 0.91 LRRK2 (0.52) HRH3HPGDLRRK2PKMGLA
SCHEMBL1912012 0.83 KMT2A (0.67) HPGDLRRK2PKMGLAKMT2A
SCHEMBL29492972 0.83 KMT2A (0.67) HPGDLRRK2PKMGLAKMT2A
SCHEMBL17076877 0.82 LRRK2 (0.51) HPGDLRRK2PKMGLAKMT2A
SCHEMBL15650909 0.82 HSD17B10 (0.65) HPGDLRRK2GLAKMT2AHSD17B10
SCHEMBL17076666 0.81 LRRK2 (0.51) HPGDLRRK2PKMGLAKMT2A
SCHEMBL17076784 0.80 LRRK2 (0.53) HRH3HPGDLRRK2PKMGLA
SCHEMBL15652167 0.80 HSP90AA1 (0.54) HPGDLRRK2PKMGLAKMT2A

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
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — 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 (5 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 542/4885HPGD 4082/4885LRRK2 1/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 662/4885HPGD 3245/4885LRRK2 1/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 542/4885HPGD 4082/4885LRRK2 1/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885HPGD 4156/4885LRRK2 1/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885HPGD 4156/4885LRRK2 1/4885

“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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