SCHEMBL13724403

SCHEMBL13724403

CC1CN(c2ncc(N)cn2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.41
MAP3K12 Q12852 1/20 0.40
FFAR2 O15552 7/20 0.39
GAK O14976 3/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ACACB O00763 2/20 0.37
WDR5 P61964 1/20 0.37
NR3C2 P08235 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
SCHEMBL31570491 0.82 MAP3K12 (0.41) LRRK2MAP3K12FFAR2GAKACACB
SCHEMBL31627720 0.81 CHI3L1 (0.41) LRRK2FFAR2PDE3BPDE3AACACB
SCHEMBL28267110 0.81 CHI3L1 (0.41) LRRK2FFAR2PDE3BPDE3AACACB
SCHEMBL28265610 0.81 CHI3L1 (0.41) LRRK2FFAR2PDE3BPDE3AACACB
SCHEMBL12235349 0.80 NR3C2 (0.45) LRRK2MAP3K12FFAR2GAKNR3C2
SCHEMBL20606546 0.80 WDR5 (0.38) LRRK2GAKPDE3BPDE3AACACB
SCHEMBL20606306 0.80 WDR5 (0.38) LRRK2GAKPDE3BPDE3AACACB
SCHEMBL20606305 0.80 WDR5 (0.38) LRRK2GAKPDE3BPDE3AACACB
SCHEMBL12235930 0.80 NR3C2 (0.45) LRRK2MAP3K12FFAR2GAKNR3C2
SCHEMBL2744990 0.80 NR3C2 (0.45) LRRK2MAP3K12FFAR2GAKNR3C2

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 18 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
CN-106488919-A 3-substituted 2-aminoindole derivatives 武田药品工业株式会社 2017-03-08 CN 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
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL 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-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO 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 LRRK2 1/4885MAP3K12 79/4885FFAR2 3233/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885MAP3K12 90/4885FFAR2 4116/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885MAP3K12 79/4885FFAR2 3233/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885MAP3K12 79/4885FFAR2 3233/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 LRRK2 1/4885MAP3K12 92/4885FFAR2 4009/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885MAP3K12 67/4885FFAR2 3197/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885MAP3K12 67/4885FFAR2 3197/4885

“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.