SCHEMBL17076809

SCHEMBL17076809

Cc1nn(C2CCN(C3COC3)CC2F)cc1N

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.52
DYRK1A Q13627 3/20 0.34
MAP3K12 Q12852 11/20 0.33
MAP4K1 Q92918 2/20 0.31

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
SCHEMBL9930523 0.83 LRRK2 (0.37) LRRK2MAP3K12
SCHEMBL5021286 0.83 LRRK2 (0.37) LRRK2MAP3K12
SCHEMBL17076721 0.83 LRRK2 (0.37) LRRK2MAP3K12
SCHEMBL26695891 0.81 LRRK2 (0.49) LRRK2DYRK1A
SCHEMBL5021134 0.80 DRD2 (0.35) LRRK2MAP3K12
SCHEMBL5021291 0.79 LRRK2 (0.33) LRRK2
SCHEMBL15650712 0.79 KAT2B (0.36) LRRK2MAP3K12
SCHEMBL15649834 0.79 KAT2B (0.36) LRRK2MAP3K12
SCHEMBL15649835 0.79 KAT2B (0.36) LRRK2MAP3K12
SCHEMBL15651625 0.78 LRRK2 (0.43) LRRK2DYRK1AMAP3K12MAP4K1

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 1/4885DYRK1A 142/4885MAP3K12 79/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885DYRK1A 141/4885MAP3K12 90/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885DYRK1A 142/4885MAP3K12 79/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885DYRK1A 136/4885MAP3K12 67/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885DYRK1A 136/4885MAP3K12 67/4885

“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.