SCHEMBL4843775

SCHEMBL4843775

N#Cc1ccccc1N1CCN(CC(O)COc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 9/20 0.57
HTR1A P08908 4/20 0.49
HTR7 P34969 4/20 0.49
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 3/20 0.43
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL5260279 0.94 HSP90AB1 (0.51) HSP90AB1HTR1AHTR7DRD2CTSL
SCHEMBL5257212 0.87 MAPT (0.54) HTR7KDM4EUSP2MAPK1HTT
SCHEMBL4842130 0.86 DRD3 (0.49) HSP90AB1DRD2
SCHEMBL4840594 0.86 NPSR1 (0.46) HSP90AB1KDM4EUSP2MAPK1HTT
SCHEMBL5259755 0.85 KDM4E (0.63) KDM4EUSP2MAPK1HTTNPSR1
SCHEMBL4835082 0.84 NPSR1 (0.45) KDM4EUSP2MAPK1HTTNPSR1
SCHEMBL4839497 0.84 NPSR1 (0.54) KDM4EUSP2MAPK1NPSR1HSD17B10
SCHEMBL4839716 0.83 ATM (0.54) KDM4ENPSR1HSD17B10KMT2A
SCHEMBL4843946 0.83 ALDH1A1 (0.54) KDM4EUSP2MAPK1HTTNPSR1
SCHEMBL6222365 0.82 NPSR1 (0.45) KDM4EUSP2MAPK1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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 (1 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 HSP90AB1 1430/4885HTR1A 2720/4885HTR7 2515/4885

“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.