SCHEMBL5260102

SCHEMBL5260102

CN(CCO)CC(O)COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
AURKA O14965 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
HPGD P15428 1/20 0.36

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 SCHEMBL4840566 0.93 ALDH1A1 (0.39) MAPK1KMT2AKDM4ETDP1KDM1A
SCHEMBL4842226 0.89 KDM1A (0.40) MAPK1KMT2AKDM4ETDP1KDM1A
SCHEMBL5257529 0.88 MEN1 (0.42) MAPK1KMT2AKDM1AALDH1A1LMNA
SCHEMBL4842028 0.86 MAPK1 (0.46) MAPK1KMT2AKDM4ETDP1LMNA
SCHEMBL5256838 0.86 KMT2A (0.39) MAPK1KMT2AKDM4ETDP1KDM1A
SCHEMBL5255347 0.86 ALDH1A1 (0.51) MAPK1KMT2AALDH1A1LMNAGAA
SCHEMBL4835184 0.86 NPC1 (0.38) KMT2AALDH1A1LMNAMEN1
SCHEMBL4845795 0.85 ACHE (0.46) AURKAACHE
Trifluoroacetic Acid SCHEMBL4842600 0.83 CYP2D6 (0.40) MAPK1KMT2AALDH1A1LMNAMAPT
Trifluoroacetic Acid SCHEMBL4834961 0.83 CDK4 (0.35) MAPK1KMT2AKDM4ETDP1KDM1A

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
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-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP 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 MAPK1 201/4885KMT2A 2697/4885KDM4E 2903/4885

“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.