SCHEMBL4844444

SCHEMBL4844444

OCc1ccc(-c2nc3cc(Br)cnc3[nH]2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDE5A O76074 1/20 0.34
JAK2 O60674 2/20 0.33
CLK4 Q9HAZ1 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CYP2C19 P33261 2/20 0.33
TP53 P04637 3/20 0.32
POLB P06746 3/20 0.32
DYRK1A Q13627 1/20 0.32
USP2 O75604 3/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL5257434 0.79 NPC1 (0.39) MAPTNPC1RAB9ACLK4HDAC6
SCHEMBL4834896 0.76 MMP2 (0.42) ALDH1A1MAPTKDM4ENPC1RAB9A
Trifluoroacetic Acid SCHEMBL4839496 0.73 LDHA (0.38) ALDH1A1MAPTNPC1RAB9ACLK4
SCHEMBL14008213 0.72 PTGER1 (0.48)
SCHEMBL4843691 0.72 MMP2 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7835407 0.71 TDP1 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2JAK2
SCHEMBL17821350 0.70 MMP2 (0.55) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4839487 0.70 TBK1 (0.45) MAPTCLK4HDAC6DYRK1BTP53
SCHEMBL4843809 0.69 CHEK2 (0.50) HDAC6
SCHEMBL13607760 0.69 PTGES (0.51) ALDH1A1MAPTKDM4ENPC1RAB9A

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
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 CYP2A6 1643/4885ALDH1A1 1489/4885MAPT 3669/4885

“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.