SCHEMBL4843516

SCHEMBL4843516

Brc1cnc2[nH]c(-c3ccc(OCCN4CCCCC4c4cccnc4)cc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
ACHE P22303 6/20 0.41
TBK1 Q9UHD2 2/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 1/20 0.39
IKBKE Q14164 1/20 0.38

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 SCHEMBL5255370 0.93 KDM4E (0.41) NPSR1KDM4EALDH1A1ACHETBK1
SCHEMBL4837805 0.87 KDM4E (0.40) NPSR1KDM4EALDH1A1GAATSHR
Trifluoroacetic Acid SCHEMBL4843627 0.82 KDM4E (0.39) NPSR1KDM4EALDH1A1GAAKMT2A
SCHEMBL4843811 0.81 TBK1 (0.46) ACHETBK1IKBKE
SCHEMBL4844406 0.79 ACHE (0.61) ACHETBK1IKBKE
SCHEMBL4844287 0.78 ACHE (0.62) ACHETBK1IKBKE
SCHEMBL4834384 0.77 CHEK2 (0.45) ACHETBK1IKBKE
SCHEMBL4834392 0.77 CHEK2 (0.45) ACHETBK1IKBKE
SCHEMBL5260732 0.76 ACHE (0.55) ACHETBK1IKBKE
SCHEMBL4845667 0.76 CHEK2 (0.55) ACHETBK1IKBKE

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 NPSR1 1799/4885KDM4E 2903/4885ALDH1A1 1489/4885

“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.