SCHEMBL4834872

SCHEMBL4834872

COc1cc(-c2nc3cc(Br)cnc3[nH]2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.53
CYP1B1 Q16678 2/20 0.53
CYP1A2 P05177 1/20 0.53
NOX1 Q9Y5S8 2/20 0.49
RIPK1 Q13546 1/20 0.46
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.44
SMPD3 Q9NY59 1/20 0.43
GUSB P08236 2/20 0.42
TBK1 Q9UHD2 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
FYN P06241 5/20 0.41
CHEK2 O96017 2/20 0.41
TGFBR1 P36897 1/20 0.41
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL13607852 0.83 PDGFRB (0.47) CYP1A1CYP1B1GUSBTBK1KDM4E
SCHEMBL4838838 0.81 RIPK1 (0.43) RIPK1POLBGUSBKDM4EALDH1A1
SCHEMBL4841493 0.81 NPC1 (0.50) POLBPARP1GUSBTBK1KDM4E
SCHEMBL4839487 0.79 TBK1 (0.45) RIPK1PARP1GUSBTBK1TP53
SCHEMBL4839233 0.78 ESR1 (0.41) POLBTP53MAPT
SCHEMBL13607759 0.78 AURKA (0.50) CYP1A2POLBKDM4EALDH1A1HPGD
SCHEMBL4838905 0.77 ABL1 (0.39) RIPK1TBK1KDM4EALDH1A1FYN
SCHEMBL3088868 0.77 MMP2 (0.65) KDM4EALDH1A1HPGDCHEK2ALOX5
SCHEMBL4843784 0.76 MMP2 (0.56) POLBPARP1TBK1KDM4EALDH1A1
SCHEMBL4843914 0.76 KDR (0.57) PARP1ALDH1A1CHEK2MAPT

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 CYP1A1 1424/4885CYP1B1 1500/4885CYP1A2 1343/4885

“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.