SCHEMBL17076784

SCHEMBL17076784

Nc1ccc(C(=O)N2CCOCC2)cc1OCC1CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ PKM P14618 2/20 0.45
▸ HPGD P15428 2/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ BMPR1B O00238 1/20 0.43
▸ BMPR1A P36894 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PARP15 Q460N3 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ ENPP2 Q13822 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
SCHEMBL17076666 0.95 LRRK2 (0.51) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL15651455 0.82 LRRK2 (0.52) LRRK2KMT2AGLAPKMHPGD
SCHEMBL15650909 0.82 HSD17B10 (0.65) LRRK2HSD17B10KMT2AGLAHPGD
SCHEMBL16982527 0.81 HTR4 (0.48) KMT2AGLAHPGD
SCHEMBL17076818 0.80 LRRK2 (0.50) LRRK2KMT2AGLAPKMHPGD
SCHEMBL7459022 0.80 LRRK2 (0.52) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL17076830 0.80 HRH3 (0.52) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL17076704 0.79 KMT2A (0.50) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL29492972 0.78 KMT2A (0.67) LRRK2KMT2AGLAPKMHPGD
SCHEMBL1912012 0.78 KMT2A (0.67) LRRK2KMT2AGLAPKMHPGD

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 1/4885HSD17B10 4360/4885KMT2A 921/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885HSD17B10 4754/4885KMT2A 1345/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885HSD17B10 4360/4885KMT2A 921/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885HSD17B10 4376/4885KMT2A 929/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885HSD17B10 4376/4885KMT2A 929/4885

“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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