SCHEMBL13724195

SCHEMBL13724195

NC(=O)NCC1CCN(c2nc(N)ncc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ SIRT1 Q96EB6 2/20 0.41
▸ SIRT3 Q9NTG7 2/20 0.41
▸ CKS1B P61024 8/20 0.40
▸ SKP1 P63208 8/20 0.40
▸ SKP2 Q13309 8/20 0.40
▸ PIK3CA P42336 4/20 0.39
▸ MTOR P42345 4/20 0.39
▸ GAA P10253 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CHIT1 Q13231 1/20 0.37
▸ ACACB O00763 1/20 0.37

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) ADORA2ASIRT2SIRT1SIRT3PIK3CA
SCHEMBL13723442 0.81 MAP3K5 (0.42) PIK3CAMTORACACB
SCHEMBL13732517 0.81 PDE10A (0.41) PIK3CAMTORACACB
SCHEMBL16209159 0.76 SMN1; SMN2 (0.50) ADORA2ACKS1BSKP1SKP2GAA
SCHEMBL13724006 0.75 HRH4 (0.40) GAAACACB
SCHEMBL13723870 0.74 HRH4 (0.44) PIK3CAMTORGAA
SCHEMBL13724547 0.73 DRD2 (0.41) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL4302281 0.72 JAK3 (0.53) —
SCHEMBL1017516 0.72 ULK1 (0.51) —
SCHEMBL15651924 0.71 SYK (0.40) PIK3CAACACB

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 17 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
EP-2699572-A1 HETEROCYCLIC COMPOUNDS 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-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO 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 ADORA2A 3806/4885TDP1 1953/4885SIRT2 2420/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ADORA2A 2295/4885TDP1 992/4885SIRT2 2890/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ADORA2A 3806/4885TDP1 1953/4885SIRT2 2420/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3806/4885TDP1 1953/4885SIRT2 2420/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 ADORA2A 4298/4885TDP1 725/4885SIRT2 1985/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3784/4885TDP1 1914/4885SIRT2 2504/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3784/4885TDP1 1914/4885SIRT2 2504/4885

“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.

Send feedback