SCHEMBL546758

SCHEMBL546758

CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
ALDH1A1 P00352 4/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 3/20 0.55
TSHR P16473 1/20 0.55
ERN1 O75460 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
HSP90AA1 P07900 1/20 0.53
BLM P54132 1/20 0.53
CASP6 P55212 1/20 0.53
HRH4 Q9H3N8 2/20 0.52

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
SCHEMBL2946066 0.89 ALDH1A1 (0.74) L3MBTL1ALDH1A1GAAKDM4EMEN1
SCHEMBL32660003 0.87 L3MBTL1 (0.70) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL16982337 0.87 MEN1 (0.68) L3MBTL1ALDH1A1GAAKDM4EMEN1
SCHEMBL30309467 0.87 L3MBTL1 (0.58) L3MBTL1ALDH1A1GAAKDM4EMEN1
SCHEMBL17747815 0.86 SMN1; SMN2 (0.61) L3MBTL1ALDH1A1GAAKDM4EMEN1
SCHEMBL520107 0.85 SIRT6 (0.61) L3MBTL1ALDH1A1GAAKDM4EMEN1
SCHEMBL16982499 0.85 L3MBTL1 (0.59) L3MBTL1ALDH1A1GAAKDM4EMEN1
SCHEMBL27785049 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1GAAKDM4EMEN1
SCHEMBL520898 0.85 ALDH1A1 (0.66) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL10240070 0.85 SMN1; SMN2 (0.63) L3MBTL1ALDH1A1GAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217551-B Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2024-07-30 CN disclosed
CN-113214287-B HPK1 inhibitors and methods of use thereof 大学健康网络 2023-10-20 CN disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2022-01-06 US disclosed
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2022-01-06 US disclosed
US-11059832-B2 HPK1 inhibitors and methods of using same UNIVERSITY HEALTH NETWORK (CA) 2021-07-13 US disclosed
US-11059832-B2 HPK1 inhibitors and methods of using same UNIVERSITY HEALTH NETWORK (CA) 2021-07-13 US disclosed
EP-3322711-B1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIV HEALTH NETWORK (CA) 2021-03-10 EP disclosed
EP-3322711-B1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIV HEALTH NETWORK (CA) 2021-03-10 EP disclosed
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed
EP-2395000-A1 Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases Astex Therapeutics Limited (GB) 2011-12-14 EP disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
EP-1968579-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-09-17 EP disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US disclosed
EP-1833819-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-19 EP disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 WO disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 WO disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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 (4 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-11059832-B2 HPK1 inhibitors and methods of using same PDXK, PDK3, PDK2 L3MBTL1 3378/4885ALDH1A1 2442/4885GAA 3453/4885
US-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET L3MBTL1 1345/4885ALDH1A1 3042/4885GAA 3397/4885
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 L3MBTL1 3317/4885ALDH1A1 2458/4885GAA 3500/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA L3MBTL1 2376/4885ALDH1A1 3717/4885GAA 3595/4885

“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.