SCHEMBL1033971

SCHEMBL1033971

O=C1[N]C(=O)c2ncccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.58
NSD2 O96028 3/20 0.58
PAX8 Q06710 3/20 0.58
ABL1 P00519 1/20 0.58
PLCG1 P19174 1/20 0.58
CES1 P23141 1/20 0.58
RIN1 Q13671 1/20 0.58
MEN1 O00255 1/20 0.58
THRB P10828 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 1/20 0.58
S100A4 P26447 6/20 0.52
CDC25B P30305 3/20 0.52
PTPRC P08575 2/20 0.52
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
PTPN13 Q12923 1/20 0.52
PADI1 Q9ULC6 3/20 0.44

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
SCHEMBL2967094 0.82 TDP2 (0.58) TDP2NSD2PAX8ABL1PLCG1
Phanquone SCHEMBL7633567 0.73 MEN1 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL30774319 0.73 GAA (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29551149 0.73 GAA (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5915065 0.73 TDP2 (0.81) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29419580 0.73 TDP2 (1.00) TDP2NSD2PAX8ABL1PLCG1
Phanquone SCHEMBL462025 0.73 MEN1 (1.00) TDP2NSD2PAX8ABL1PLCG1
Phanquone SCHEMBL30956643 0.73 MEN1 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL460433 0.73 TDP2 (1.00) TDP2NSD2PAX8ABL1PLCG1
Phanquone SCHEMBL30659794 0.73 MEN1 (1.00) TDP2NSD2PAX8ABL1PLCG1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2011-09-15 US claimed
EP-2277884-A1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-01-26 EP claimed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US claimed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US claimed
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US disclosed
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US disclosed
US-6649633-B2 For treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-11-18 US disclosed
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US disclosed
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-07-10 US disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US disclosed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US disclosed
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 US disclosed
US-5200403-A Inhibition of βlactamase with 6 β-(substituted methyl)-penicillanic acid derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1993-04-06 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 (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-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF DHPS, TBCA, ANTXR2 TDP2 3553/4885NSD2 3719/4885PAX8 4236/4885
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, NOX1, NOX3 TDP2 1995/4885NSD2 4063/4885PAX8 4808/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A TDP2 1919/4885NSD2 4366/4885PAX8 4672/4885
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 TDP2 1952/4885NSD2 2539/4885PAX8 4874/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B TDP2 1656/4885NSD2 3958/4885PAX8 4831/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 TDP2 2010/4885NSD2 2410/4885PAX8 4877/4885

“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.