SCHEMBL611899

SCHEMBL611899

Cn1nc([N+](=O)[O-])cc1CBr

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
GRK5 P34947 1/20 0.36
LIMK1 P53667 1/20 0.36
HTT P42858 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 4/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL27908837 0.88 CHEK1 (0.35) CHEK1DAPK3GRK5LIMK1HTT
SCHEMBL611566 0.82 HTT (0.38) CHEK1DAPK3GRK5LIMK1HTT
SCHEMBL1393217 0.79 PKM (0.34) CHEK1DAPK3GRK5LIMK1HTT
SCHEMBL10255852 0.79 F2RL3 (0.36) CHEK1DAPK3GRK5LIMK1HTT
SCHEMBL173569 0.79 HTT (0.37) HTTCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL28126266 0.79 CYP1A2 (0.38) HTTCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL28804198 0.78 HTT (0.42) HTTCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL20400328 0.77 HTT (0.38) HTTCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL31497515 0.77 CYP1A2 (0.38) HTTCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL25888929 0.77 ALDH1A1 (0.36) HTTCYP1A2CYP2C19ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
WO-2024255885-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
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
CN-110818724-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-11-13 CN disclosed
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 US disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 WO disclosed
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 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 (6 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK CHEK1 547/4885DAPK3 1008/4885GRK5 266/4885
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CHEK1 190/4885DAPK3 54/4885GRK5 211/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK CHEK1 234/4885DAPK3 158/4885GRK5 272/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN CHEK1 812/4885DAPK3 389/4885GRK5 424/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CHEK1 190/4885DAPK3 54/4885GRK5 211/4885
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CHEK1 190/4885DAPK3 54/4885GRK5 211/4885

“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.