SCHEMBL14914029

SCHEMBL14914029

CC1CN(C(=O)O)CCN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
RAB9A P51151 1/20 0.51
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
POLB P06746 2/20 0.45
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
TGM2 P21980 1/20 0.39
SLC6A7 Q99884 1/20 0.38
GFER P55789 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL14914028 1.00 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL20267954 1.00 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL28957927 0.91 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL14914399 0.85 CHRNB2 (0.47) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL14914397 0.85 CHRNB2 (0.47) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL29731850 0.85 GPR119 (0.50) MAPTRAB9ACHRNB2CHRNA4LMNA
SCHEMBL14925849 0.85 GPR119 (0.50) MAPTRAB9ACHRNB2CHRNA4LMNA
SCHEMBL22802474 0.85 GPR119 (0.50) MAPTRAB9ACHRNB2CHRNA4LMNA
SCHEMBL30512281 0.85 GPR119 (0.50) MAPTRAB9ACHRNB2CHRNA4LMNA
SCHEMBL14924375 0.85 GPR119 (0.50) MAPTRAB9ACHRNB2CHRNA4LMNA

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
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-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2021-03-18 US disclosed
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 US disclosed
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 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
US-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2019-06-27 US 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-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2014-05-08 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
WO-2013067264-A1 8-FLUOROPHTHALAZIN-1 (2H) - ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
WO-2013067277-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE 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 (8 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-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK MAPT 2440/4885RAB9A 1959/4885CHRNB2 2230/4885
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK MAPT 1436/4885RAB9A 2820/4885CHRNB2 2132/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK MAPT 1919/4885RAB9A 3385/4885CHRNB2 4243/4885
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 MAPT 2050/4885RAB9A 3689/4885CHRNB2 1857/4885
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK MAPT 1406/4885RAB9A 2762/4885CHRNB2 2635/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 MAPT 2050/4885RAB9A 3689/4885CHRNB2 1857/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 MAPT 3237/4885RAB9A 3946/4885CHRNB2 1464/4885
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 MAPT 2050/4885RAB9A 3689/4885CHRNB2 1857/4885

“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.