SCHEMBL13724006

SCHEMBL13724006

CN(C)CC1CCN(c2nc(N)ncc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MELK Q14680 4/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL13732517 0.82 PDE10A (0.41) HRH4SMN1; SMN2KDM4EACACB
SCHEMBL13724439 0.78 FFAR4 (0.37) HRH4SMN1; SMN2KDM4E
SCHEMBL13724195 0.75 ADORA2A (0.45) ACACBGAA
SCHEMBL1018107 0.73 JAK3 (0.54) SMN1; SMN2
SCHEMBL13724424 0.71 HRH3 (0.49) HRH4SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL14541937 0.71 KDM4E (0.69) HRH4SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL29968822 0.71 OPRK1 (0.40) —
SCHEMBL21513247 0.71 OPRK1 (0.40) —
SCHEMBL13723442 0.70 MAP3K5 (0.42) HRH4ACACB
SCHEMBL21245679 0.70 PIK3CA (0.40) ATR

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 16 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-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329785-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

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 HRH4 1048/4885SMN1; SMN2 882/4885KDM4E 1662/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH4 1011/4885SMN1; SMN2 835/4885KDM4E 1409/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH4 1048/4885SMN1; SMN2 882/4885KDM4E 1662/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK HRH4 1048/4885SMN1; SMN2 882/4885KDM4E 1662/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 HRH4 2661/4885SMN1; SMN2 609/4885KDM4E 1843/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH4 1135/4885SMN1; SMN2 986/4885KDM4E 1645/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH4 1135/4885SMN1; SMN2 986/4885KDM4E 1645/4885

“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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