SCHEMBL3702012

SCHEMBL3702012

CNCC(O)c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.67
ADRB3 P13945 5/20 0.67
ADRB2 P07550 5/20 0.67
HIF1A Q16665 4/20 0.67
ADRA2A P08913 3/20 0.67
ADRA2B P18089 3/20 0.67
ADRA2C P18825 3/20 0.67
TSHR P16473 2/20 0.67
DRD1 P21728 2/20 0.67
ADRA1A P35348 2/20 0.67
ADRA1B P35368 2/20 0.67
DRD3 P35462 2/20 0.67
HTR1A P08908 2/20 0.67
NFKB1 P19838 1/20 0.67
HTR7 P34969 1/20 0.67
RAB9A P51151 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KDM4E B2RXH2 4/20 0.65
BLM P54132 3/20 0.65
LMNA P02545 2/20 0.65

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
SCHEMBL16679636 1.00 ADRB1 (0.67) ADRB1ADRB3ADRB2HIF1AADRA2A
SCHEMBL13986541 0.84 ADRB3 (0.55) ADRB1ADRB3ADRB2LMNASLC2A1
SCHEMBL24302767 0.83 SLC6A4 (0.54) ADRB1ADRB3ADRB2HIF1AADRA2A
SCHEMBL9640610 0.83 ADRB1 (0.66) ADRB1ADRB3ADRB2HIF1ATSHR
SCHEMBL10876266 0.83 LMNA (0.69) ADRB1ADRB3ADRB2HIF1ALMNA
SCHEMBL29493213 0.83 ADRB1 (0.66) ADRB1ADRB3ADRB2HIF1ATSHR
SCHEMBL16559342 0.83 SLC6A2 (0.60) ADRB1ADRB3ADRB2HIF1AADRA2A
Dimethylamine SCHEMBL27944752 0.82 LMNA (0.52) ADRB1ADRB3ADRB2HIF1AADRA2A
SCHEMBL27824903 0.82 SLC6A3 (0.60) ADRB1ADRB3ADRB2HIF1AADRA2A
SCHEMBL12186388 0.81 ADRB3 (0.57) ADRB1ADRB3ADRB2HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 CN disclosed
EP-3063143-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS Novartis AG (CH) 2016-09-07 EP disclosed
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed
WO-2015066188-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US disclosed
US-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof RESEARCH INSTITUTE OF MATERIAL MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES; 2004-02-12 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 (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-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof PTGS1, PTGS2, PTGER1 ADRB1 881/4885ADRB3 587/4885ADRB2 768/4885
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 ADRB1 162/4885ADRB3 230/4885ADRB2 215/4885

“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.