SCHEMBL3259073

SCHEMBL3259073

CC1=NCC(=O)Nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.61
GABRA5 P31644 6/20 0.61
GABRA3 P34903 6/20 0.61
GABRA2 P47869 6/20 0.61
GABRB2 P47870 5/20 0.61
GABRG2 P18507 4/20 0.61
GABRB3 P28472 4/20 0.61
PGR P06401 1/20 0.51
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.46
NTSR1 P30989 1/20 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
SCHEMBL29391065 1.00 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2262850 0.79 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3259068 0.79 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8801062 0.78 GABRA1 (0.56) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3988229 0.77 KMT2A (0.60) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11827239 0.77 PGR (0.67) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL29979594 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL1365706 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8519909 0.76 DAO (0.50) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5356267 0.75 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
US-7482337-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-27 US claimed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
CN-119528828-A Synthesis method of methylation product of nitrogen heterocycle or oxygen heterocycle compound 桂林理工大学 2025-02-28 CN disclosed
CN-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 CN disclosed
CN-111187223-B Synthetic method of linagliptin intermediate 2-chloromethyl-4-methyl quinazoline 沧州那瑞化学科技有限公司 2022-02-22 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
CN-111187223-A Synthetic method of linagliptin intermediate 2-chloromethyl-4-methyl quinazoline 沧州那瑞化学科技有限公司 2020-05-22 CN disclosed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US disclosed
US-7696212-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2010-04-13 US disclosed
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
US-20040127500-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION 2004-07-01 US disclosed
US-6500847-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER CORPORATION 2002-12-31 US disclosed
US-20020042417-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION 2002-04-11 US disclosed
US-20020042418-A1 Inhibition of matrix metalloproteases by substitued biaryl oxobutyric acides BAYER PHARMACEUTICALS CORPORATION 2002-04-11 US disclosed
US-6225314-B1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER CORPORATION 2001-05-01 US disclosed
US-5925637-A ENZYME INHIBITORS AS ANTIARTHRITIC AGENTS OR CARDIOVASCULAR DISORDERS BAYER CORPORATION (US) 1999-07-20 US disclosed
WO-1997043239-A9 INHIBITION OF MATRIX METALLOPROTEASES BY 2-SUBSTITUTED-4-(4-SUBSTITUTEDPHENYL)-4-OXOBUTYRIC ACIDS 1998-03-19 WO disclosed
CN-1093085-A Sulfonamide derivatives GLAXO GROUP LTD (GB) 1994-10-05 CN 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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 GABRA1 2103/4885GABRA5 2468/4885GABRA3 2978/4885
US-20040127500-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids ADAMTS5, ADAMTS1, MMP26 GABRA1 713/4885GABRA5 494/4885GABRA3 884/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 GABRA1 2083/4885GABRA5 2164/4885GABRA3 2613/4885
US-20020042417-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids ADAMTS5, ADAMTS1, MMP13 GABRA1 746/4885GABRA5 638/4885GABRA3 905/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 GABRA1 2083/4885GABRA5 2164/4885GABRA3 2613/4885
US-20020042418-A1 Inhibition of matrix metalloproteases by substitued biaryl oxobutyric acides ADAMTS5, ADAMTS1, ADAMTS4 GABRA1 370/4885GABRA5 351/4885GABRA3 568/4885

“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.