SCHEMBL4844690

SCHEMBL4844690

OC1CCCN(CC(O)COc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP2 P42575 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNA7 P36544 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 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
SCHEMBL4843135 0.95 KMT2A (0.50) MEN1KMT2ANPSR1HSD17B10ATM
Trifluoroacetic Acid SCHEMBL4841798 0.93 MEN1 (0.53) MEN1KMT2ANPSR1HSD17B10KDM4E
SCHEMBL4834966 0.90 KMT2A (0.45) MEN1KMT2ANPSR1KDM4EATM
SCHEMBL4839497 0.89 NPSR1 (0.54) KMT2ANPSR1HSD17B10KDM4EATM
SCHEMBL4839716 0.89 ATM (0.54) KMT2ANPSR1HSD17B10KDM4EATM
SCHEMBL4840676 0.88 MEN1 (0.43) MEN1KMT2ANPSR1HSD17B10
SCHEMBL5257250 0.86 MEN1 (0.42) MEN1KMT2ANPSR1HSD17B10
SCHEMBL4845601 0.86 ACHE (0.48) KDM4E
SCHEMBL4838040 0.85 KMT2A (0.41) MEN1KMT2ANPSR1HSD17B10CHRNA7
SCHEMBL6248629 0.85 KMT2A (0.42) MEN1KMT2ANPSR1KDM4EATM

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 MEN1 2592/4885KMT2A 2697/4885NPSR1 1799/4885

“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.