SCHEMBL6223039

SCHEMBL6223039

CN(C)CC(O)COc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
HIF1A Q16665 2/20 0.65
HTT P42858 2/20 0.65
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.59
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KDM1A O60341 1/20 0.52
CDK4 P11802 6/20 0.51
CDK2 P24941 2/20 0.50

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
SCHEMBL22639742 0.84 CDK4 (0.67) KDM4EHIF1AHTTALDH1A1HPGD
SCHEMBL19405224 0.84 CDK4 (0.67) KDM4EHIF1AHTTALDH1A1HPGD
SCHEMBL11672350 0.83 MAPK1 (0.62) MAPK1KDM4ETDP1HIF1AHTT
SCHEMBL188449 0.83 HIF1A (0.65) TDP1HIF1AHTTALDH1A1HPGD
SCHEMBL258823 0.82 HIF1A (0.75) HIF1AHTTALDH1A1HPGDCDK4
Hydrochloric Acid SCHEMBL5396629 0.81 HIF1A (0.68) HIF1AHTTALDH1A1HPGDCDK4
Hydrochloric Acid SCHEMBL5257349 0.81 HIF1A (0.68) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL1496558 0.80 MAPT (0.57) MAPK1KDM4ETDP1HTTALDH1A1
SCHEMBL1496758 0.80 MAPK1 (0.62) MAPK1KDM4ETDP1HTTALDH1A1
SCHEMBL12663754 0.80 MAPK1 (0.62) MAPK1KDM4ETDP1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261331-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-11-24 US disclosed
EP-1539757-A1 SUBSTITUTED PYRROLOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016609-A1 SUBSTITUTED PYRROLOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 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 (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-20050261331-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 MAPK1 117/4885KDM4E 1691/4885TDP1 790/4885

“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.