SCHEMBL4842226

SCHEMBL4842226

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CDK4 P11802 4/20 0.39
CDK2 P24941 4/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34

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 SCHEMBL4834961 0.93 CDK4 (0.35) KDM1AALDH1A1HPGDCDK4CDK2
SCHEMBL5260102 0.89 MAPK1 (0.40) KDM1AALDH1A1HPGDCDK4CDK2
SCHEMBL4835015 0.85 ACHE (0.44) ACHE
SCHEMBL5257529 0.85 MEN1 (0.42) KDM1AALDH1A1CDK4CDK2KMT2A
SCHEMBL4842028 0.83 MAPK1 (0.46) KMT2AKDM4EMAPK1TDP1ACHE
SCHEMBL5256838 0.83 KMT2A (0.39) KDM1ACDK4CDK2KMT2AKDM4E
SCHEMBL5255347 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1MEN1
Trifluoroacetic Acid SCHEMBL4840566 0.82 ALDH1A1 (0.39) KDM1AALDH1A1CDK4CDK2KMT2A
SCHEMBL4837757 0.81 ALDH1A1 (0.37) KDM1AALDH1A1HPGDCDK4CDK2
Trifluoroacetic Acid SCHEMBL4842600 0.80 CYP2D6 (0.40) ALDH1A1CDK4CDK2KMT2AMAPK1

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
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
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 KDM1A 2854/4885ALDH1A1 1489/4885HPGD 1597/4885

“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.