SCHEMBL3352438

SCHEMBL3352438

CN(CCO)Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 2/20 0.60
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
GPR35 Q9HC97 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CTSB P07858 1/20 0.46
POLB P06746 3/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 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
SCHEMBL7492893 0.87 ALDH1A1 (0.48) CDC25CALDH1A1L3MBTL1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7487445 0.86 ALDH1A1 (0.47) CDC25CALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL15347383 0.86 CDC25C (0.57) CDC25CALDH1A1L3MBTL1SMN1; SMN2GPR35
SCHEMBL25197556 0.85 CDC25C (0.55) CDC25CALDH1A1L3MBTL1SMN1; SMN2GPR35
SCHEMBL15483827 0.84 POLB (0.56) CDC25CALDH1A1L3MBTL1SMN1; SMN2GPR35
Hydrochloric Acid SCHEMBL7597150 0.83 KMT2A (0.53) CDC25CALDH1A1SMN1; SMN2HPGDTHRB
SCHEMBL10417384 0.83 L3MBTL1 (0.55) CDC25CALDH1A1L3MBTL1SMN1; SMN2GPR35
SCHEMBL359377 0.80 CDC25C (0.52) CDC25CALDH1A1L3MBTL1SMN1; SMN2GPR35
SCHEMBL25206989 0.80 CDC25C (0.54) CDC25CALDH1A1CTSBKDM4ELMNA
SCHEMBL15688012 0.80 ALDH1A1 (0.49) CDC25CALDH1A1SMN1; SMN2MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2022-02-15 US disclosed
US-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-12-03 US disclosed
EP-3604306-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2020-02-05 EP disclosed
US-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-04-29 US disclosed
EP-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 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 (3 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-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF WEE1, WEE2, PDPK1 CDC25C 236/4885ALDH1A1 2614/4885L3MBTL1 4284/4885
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof WEE1, WEE2, PDPK1 CDC25C 236/4885ALDH1A1 2614/4885L3MBTL1 4284/4885
US-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease HTR6, HTR3B, HTR5A CDC25C 1952/4885ALDH1A1 966/4885L3MBTL1 3496/4885

“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.