SCHEMBL13732517

SCHEMBL13732517

Nc1ncc(F)c(N2CCC(CO)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL13724439 0.84 FFAR4 (0.37) PIK3CAMTORHRH4KDM4ESMN1; SMN2
SCHEMBL12082607 0.83 SMN1; SMN2 (0.58) PDE10AKDM4ESMN1; SMN2
SCHEMBL13724006 0.82 HRH4 (0.40) HRH4KDM4ESMN1; SMN2ACACB
SCHEMBL13724195 0.81 ADORA2A (0.45) PIK3CAMTORACACB
SCHEMBL15651924 0.81 SYK (0.40) PIK3CAALOX5APPIK3R1HDAC1ACACB
SCHEMBL13724424 0.77 HRH3 (0.49) HRH4KDM4ESMN1; SMN2
SCHEMBL13723442 0.76 MAP3K5 (0.42) PIK3CAMTORHRH4ALOX5APACACB
SCHEMBL14541937 0.74 KDM4E (0.69) PIK3CAMTORHRH4KDM4EPIK3R1
SCHEMBL13723671 0.74 GUCY1B2 (0.45) PDE10AMTORALOX5APKDM4E
SCHEMBL2321220 0.72 PDE10A (0.44) PDE10APIK3CAMTORLRRK2PIK3R1

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 15 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-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 — — EP 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
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO 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 (7 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 PDE10A 2222/4885PIK3CA 1016/4885MTOR 327/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK PDE10A 1829/4885PIK3CA 410/4885MTOR 291/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PDE10A 2222/4885PIK3CA 1016/4885MTOR 327/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK PDE10A 2222/4885PIK3CA 1016/4885MTOR 327/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 PDE10A 3198/4885PIK3CA 1018/4885MTOR 300/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PDE10A 2437/4885PIK3CA 846/4885MTOR 293/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PDE10A 2437/4885PIK3CA 846/4885MTOR 293/4885

“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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