SCHEMBL17076840

SCHEMBL17076840

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.54
▸ LRRK2 Q5S007 2/20 0.51
▸ PKM P14618 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MLYCD O95822 1/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ HSP90AA1 P07900 2/20 0.48
▸ HSP90AB1 P08238 2/20 0.48
▸ HPGD P15428 3/20 0.48
▸ PHGDH O43175 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ KCNH2 Q12809 2/20 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
SCHEMBL9996956 0.85 KMT2A (0.60) EPHX2LRRK2PKMGLAKMT2A
SCHEMBL4246868 0.85 EPHX2 (0.54) EPHX2KMT2AHPGDL3MBTL1KCNH2
SCHEMBL20750406 0.85 PKM (0.50) PKMHPGDKCNH2
SCHEMBL17076704 0.84 KMT2A (0.50) EPHX2LRRK2PKMGLAKMT2A
SCHEMBL12698702 0.84 HSD11B1 (0.45) EPHX2KMT2AL3MBTL1
SCHEMBL29492972 0.83 KMT2A (0.67) LRRK2PKMGLAKMT2AHSP90AA1
SCHEMBL1912012 0.83 KMT2A (0.67) LRRK2PKMGLAKMT2AHSP90AA1
SCHEMBL17076877 0.82 LRRK2 (0.51) LRRK2PKMGLAKMT2AMLYCD
SCHEMBL4163446 0.80 HSP90AA1 (0.58) EPHX2PKMKMT2AMLYCDHSP90AA1
SCHEMBL7459022 0.80 LRRK2 (0.52) LRRK2PKMGLAKMT2AHSP90AA1

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 EPHX2 4581/4885LRRK2 1/4885PKM 761/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK EPHX2 4367/4885LRRK2 1/4885PKM 478/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK EPHX2 4581/4885LRRK2 1/4885PKM 761/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK EPHX2 4636/4885LRRK2 1/4885PKM 766/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK EPHX2 4636/4885LRRK2 1/4885PKM 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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