SCHEMBL17076818

SCHEMBL17076818

Nc1ccc(C(=O)N2CCOCC2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.50
▸ PDE4D Q08499 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ PDE4B Q07343 1/20 0.47
▸ DGAT2 Q96PD7 1/20 0.46
▸ BMPR1B O00238 1/20 0.45
▸ BMPR1A P36894 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ ACVRL1 P37023 1/20 0.45
▸ ACVR1 Q04771 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
SCHEMBL15651455 0.98 LRRK2 (0.52) LRRK2HRH3PDE4DHPGDKMT2A
SCHEMBL17076830 0.95 HRH3 (0.52) LRRK2HRH3HPGDKMT2AGLA
SCHEMBL15650742 0.89 LRRK2 (0.52) LRRK2HRH3HPGDKMT2AGLA
SCHEMBL15652277 0.82 LRRK2 (0.55) LRRK2PDE4DPDE4B
SCHEMBL1912012 0.81 KMT2A (0.67) LRRK2HPGDKMT2AGLAPKM
SCHEMBL29492972 0.81 KMT2A (0.67) LRRK2HPGDKMT2AGLAPKM
SCHEMBL17076784 0.80 LRRK2 (0.53) LRRK2HRH3HPGDKMT2AGLA
SCHEMBL17076877 0.80 LRRK2 (0.51) LRRK2HPGDKMT2AGLAPKM
SCHEMBL17076666 0.80 LRRK2 (0.51) LRRK2HPGDKMT2AGLAPKM
SCHEMBL17076840 0.78 EPHX2 (0.54) LRRK2HPGDKMT2AGLAPKM

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 LRRK2 1/4885HRH3 542/4885PDE4D 2157/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885HRH3 662/4885PDE4D 1008/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885HRH3 542/4885PDE4D 2157/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885HRH3 592/4885PDE4D 2409/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885HRH3 592/4885PDE4D 2409/4885

“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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