SCHEMBL4837757

SCHEMBL4837757

CN(CC(O)COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)C1CCC(C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 2/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32

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 SCHEMBL4840699 0.93 MAPT (0.36) ALDH1A1HPGDKMT2AMAPTNPSR1
SCHEMBL4837322 0.86 ACHE (0.40)
SCHEMBL4842226 0.81 KDM1A (0.40) ALDH1A1HPGDKMT2AKDM1AKDM4E
Trifluoroacetic Acid SCHEMBL4843613 0.81 HDAC6 (0.37)
SCHEMBL4842028 0.80 MAPK1 (0.46) KMT2AMAPTKDM4EMAPK1TDP1
SCHEMBL5260102 0.79 MAPK1 (0.40) ALDH1A1HPGDKMT2AMAPTKDM1A
SCHEMBL4843854 0.77 KMT2A (0.48) ALDH1A1KMT2AMAPTMEN1
SCHEMBL4838040 0.76 KMT2A (0.41) ALDH1A1KMT2AMAPTNPSR1MAPK1
SCHEMBL5255347 0.76 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL5256838 0.76 KMT2A (0.39) KMT2AKDM1AKDM4EMAPK1TDP1

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 5 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
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 ALDH1A1 1489/4885HPGD 1597/4885KMT2A 2697/4885

“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.