SCHEMBL546902

SCHEMBL546902

CN1CCN(Cc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
MC4R P32245 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIRT6 Q8N6T7 2/20 0.47
CHKA P35790 2/20 0.47

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
SCHEMBL30059168 1.00 SMN1; SMN2 (0.62) SMN1; SMN2HTR1ADRD2HTR2AKDM4E
SCHEMBL2952071 0.88 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EALDH1A1POLBL3MBTL1
SCHEMBL16054808 0.88 ALDH1A1 (0.53) SMN1; SMN2HTR1ADRD2HTR2AKDM4E
SCHEMBL28088851 0.87 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3114233 0.87 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1POLBMAPT
SCHEMBL3117941 0.87 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3103670 0.87 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1POLBL3MBTL1
SCHEMBL4849323 0.87 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1POLBL3MBTL1
SCHEMBL16054521 0.87 KDM4E (0.52) SMN1; SMN2HTR1ADRD2HTR2AKDM4E
Hydrochloric Acid SCHEMBL3102720 0.86 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN disclosed
CN-106795152-B Protein kinase inhibitors 安斯达尔生物技术有限责任公司 2020-01-31 CN disclosed
EP-2880038-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2018-05-16 EP disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
CN-106795152-A Protein kinase inhibitors 安斯达尔生物技术有限责任公司 2017-05-31 CN 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 (2 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET SMN1; SMN2 3461/4885HTR1A 3270/4885DRD2 4104/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA SMN1; SMN2 2569/4885HTR1A 2967/4885DRD2 3451/4885

“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.