SCHEMBL212004

SCHEMBL212004

O=[N+]([O-])c1ccc2nccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.58
TXNRD3 Q86VQ6 1/20 0.58
TXNRD2 Q9NNW7 1/20 0.58
BAZ1A Q9NRL2 1/20 0.55
CYP3A4 P08684 2/20 0.55
NAMPT P43490 1/20 0.55
XDH P47989 1/20 0.55
ALDH1A1 P00352 4/20 0.49
PARP1 P09874 1/20 0.49
ERN1 O75460 1/20 0.47
TSHR P16473 3/20 0.47
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL31040685 1.00 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2BAZ1ACYP3A4
Biphenyl SCHEMBL27839338 0.89 NPBWR1 (0.54) TXNRD1TXNRD3TXNRD2BAZ1AALDH1A1
SCHEMBL16420047 0.87 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2BAZ1ACYP3A4
SCHEMBL28382100 0.87 NPBWR1 (0.55) BAZ1AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL28385301 0.83 BAZ1A (0.49) TXNRD1TXNRD3TXNRD2BAZ1ACYP3A4
SCHEMBL537862 0.78 PARP1 (0.53) TXNRD1TXNRD3TXNRD2CYP3A4NAMPT
SCHEMBL1012937 0.77 BAZ1A (0.60) TXNRD1TXNRD3TXNRD2BAZ1AALDH1A1
SCHEMBL4515288 0.77 ALDH1A1 (0.62) BAZ1AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL366012 0.77 ALDH1A1 (0.62) TXNRD1TXNRD3TXNRD2BAZ1ACYP3A4
SCHEMBL30626616 0.77 BAZ1A (0.60) TXNRD1TXNRD3TXNRD2BAZ1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873407-B1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO KGAA (DE) 2025-04-09 EP claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
CN-101318939-A Method for preparing medicament midbody 5-bromine-6-amido quinoxaline JIAXING INST OF APPLIED CHEMIS (CN) 2008-12-10 CN claimed
WO-2025137303-A1 META-PHENYLENEDIAMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2025-06-26 WO disclosed
US-12297194-B2 N2-phenylpyrimidine-2,4-diamine compounds, and preparation methods and methods of use thereof Bridge Biotherapeutics, Inc. (KR) 2025-05-13 US disclosed
WO-2025067509-A1 EGFR DEGRADANT, AND PREPARATION METHOD AND USE THEREFOR 石药集团中奇制药技术(石家庄)有限公司 2025-04-03 WO disclosed
US-12077527-B2 Compositions and methods for inhibiting ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-09-03 US disclosed
US-20240228458-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME THERAPEX CO., LTD. (KR) 2024-07-11 US disclosed
US-20240051940-A1 SULFONAMIDES WITH EGFR INHIBITION ACTIVITIES AND THEIR USE THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-15 US disclosed
EP-4313969-A1 N2-PHENYLPYRIMIDINE-2,4-DIAMINE COMPOUNDS, AND PREPARATION METHODS AND METHODS OF USE THEREOF Bridge Biotherapeutics, Inc. (KR) 2024-02-07 EP disclosed
CN-117203199-A N2-phenylpyrimidine-2, 4-diamine compounds, methods of making and using the same 毕利吉生物科技股份有限公司 2023-12-08 CN disclosed
WO-2000038684-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES FOR THE TREATMENT OF PAIN ALLERGAN SALES, INC. (US) 2000-07-06 WO disclosed
CN-1041930-C [1,2,4]triazolo[4,3-a] quinoxaline derivatives, their preparation and use NOVO NORDISK AS (DK) 1999-02-03 CN disclosed
CN-1122601-A [1, 2, 4] triazolo [4, 3-a ] quinoxaline derivatives, their preparation and use NOVO NORDISK AS (DK) 1996-05-15 CN disclosed
EP-0353531-B1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1993-04-21 EP disclosed
US-5089025-A HAIR DYE COMPOSITIONS AND CERTAIN 1,2,3,4-TETRAHYDRONITROQUINOXALINES USEFUL THEREIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-18 US disclosed
EP-0426719-A1 A HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-05-15 EP disclosed
WO-1990001050-A1 A HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-08 WO disclosed
EP-0353531-A1 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-07 EP 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 (5 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-12077527-B2 Compositions and methods for inhibiting ACSS2 ACSS2, ACSL3, ACSL1 TXNRD1 902/4885TXNRD3 514/4885TXNRD2 300/4885
US-12297194-B2 N2-phenylpyrimidine-2,4-diamine compounds, and preparation methods and methods of use thereof EGFR, ERBB2, ERBB4 TXNRD1 4350/4885TXNRD3 4587/4885TXNRD2 3603/4885
US-20240051940-A1 SULFONAMIDES WITH EGFR INHIBITION ACTIVITIES AND THEIR USE THEREOF EGFR, ERBB2, ERBB4 TXNRD1 1617/4885TXNRD3 2224/4885TXNRD2 2859/4885
US-20240228458-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME EGFR, ERBB2, ERBB3 TXNRD1 1404/4885TXNRD3 2275/4885TXNRD2 2244/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR TXNRD1 4438/4885TXNRD3 4616/4885TXNRD2 4736/4885

“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.