SCHEMBL14930381

SCHEMBL14930381

Cc1cn(C2CCN(C3COC3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.37
MAP3K12 Q12852 2/20 0.36
TLR8 Q9NR97 9/20 0.36
TLR7 Q9NYK1 9/20 0.36
TLR9 Q9NR96 8/20 0.36
KDM2B Q8NHM5 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL24826178 0.85 PIM1 (0.33)
SCHEMBL31328947 0.81 LRRK2 (0.35) LRRK2MAP3K12KDM2BWNT1GSK3B
SCHEMBL14925550 0.81 LRRK2 (0.36) LRRK2MAP3K12TLR8TLR7TLR9
SCHEMBL18377886 0.79
SCHEMBL12442576 0.78 HCAR1 (0.38) LRRK2KDM2BGSK3BDYRK1ADRD2
SCHEMBL27389517 0.78 KDM2B (0.49) LRRK2KDM2BDRD2DRD4DRD3
SCHEMBL20325978 0.76 CDK5 (0.39) KDM2BGSK3BDRD2DRD4DRD3
SCHEMBL14704037 0.76 CDK5 (0.38) KDM2BDRD2DRD4DRD3
SCHEMBL18250753 0.74 CDK5 (0.39)
SCHEMBL18377692 0.74 DRD2 (0.43) LRRK2TLR7TLR9KDM2BDRD2

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
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 EP disclosed
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 US disclosed
EP-3521288-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2019-08-07 EP disclosed
EP-3002284-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2019-05-22 EP disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 US disclosed
EP-3002284-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-04-06 EP disclosed
US-9238655-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2016-01-19 US disclosed
EP-2773638-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 US disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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 (4 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-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK LRRK2 1071/4885MAP3K12 114/4885TLR8 1006/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 LRRK2 1585/4885MAP3K12 208/4885TLR8 1507/4885
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 LRRK2 1096/4885MAP3K12 109/4885TLR8 1082/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 LRRK2 1585/4885MAP3K12 208/4885TLR8 1507/4885

“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.