SCHEMBL17076877

SCHEMBL17076877

Nc1ccc(C(=O)N2CCOCC2)cc1OC(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ PKM P14618 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ HPGD P15428 4/20 0.48
▸ HSP90AA1 P07900 2/20 0.48
▸ HSP90AB1 P08238 2/20 0.48
▸ PHGDH O43175 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MLYCD O95822 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL20073407 0.88 HPGD (0.47) LRRK2KMT2AGLAHPGDL3MBTL1
SCHEMBL15652167 0.87 HSP90AA1 (0.54) LRRK2KMT2APKMGLAHPGD
SCHEMBL20750534 0.86 KDM4E (0.44) LRRK2KMT2AGLAL3MBTL1KDM4E
SCHEMBL20750679 0.85 PDE4D (0.45) LRRK2KMT2APOLB
SCHEMBL16982497 0.85 KMT2A (0.53) LRRK2KMT2AGLAHPGDL3MBTL1
SCHEMBL20750380 0.85 SIGMAR1 (0.46) PKMGLAHPGDKDM4E
SCHEMBL15650740 0.84 HSP90AA1 (0.46) LRRK2KMT2AGLAHPGDHSP90AA1
SCHEMBL1912012 0.83 KMT2A (0.67) LRRK2KMT2APKMGLAHPGD
SCHEMBL29492972 0.83 KMT2A (0.67) LRRK2KMT2APKMGLAHPGD
SCHEMBL17076830 0.82 HRH3 (0.52) LRRK2KMT2APKMGLAHPGD

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 1/4885KMT2A 921/4885PKM 761/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885KMT2A 1345/4885PKM 478/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885KMT2A 921/4885PKM 761/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885KMT2A 929/4885PKM 766/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885KMT2A 929/4885PKM 766/4885

“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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