SCHEMBL4839499

SCHEMBL4839499

Oc1ccc(-c2nc3cc(Br)cnc3[nH]2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.39
ESR1 P03372 6/20 0.38
ESR2 Q92731 5/20 0.38
GUSB P08236 2/20 0.38
AMY1A P0DUB6 4/20 0.36
JAK2 O60674 1/20 0.35
MAPK1 P28482 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL4839233 0.81 ESR1 (0.41) ESR1ESR2AMY1AJAK2
SCHEMBL4839487 0.79 TBK1 (0.45) GUSBMAPK1MAPK8
SCHEMBL4838838 0.76 RIPK1 (0.43) PTGESESR1ESR2GUSB
SCHEMBL9692091 0.73 NPC1 (0.47) PTGESGUSBMAPK1
SCHEMBL4838905 0.71 ABL1 (0.39) PTGESJAK2MAPK1
SCHEMBL4842249 0.71 NPC1 (0.55) PTGESJAK2MAPK1
SCHEMBL20708511 0.71 PTGES (0.55) PTGESJAK2MAPK8
SCHEMBL13607846 0.71 PTGES (0.55) PTGESJAK2MAPK8
SCHEMBL13607767 0.70 PTGES (0.56) PTGESMAPK1
SCHEMBL2421691 0.70 KDR (0.42) JAK2MAPK1MAPK8MAPK9

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
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 PTGES 1862/4885ESR1 2788/4885ESR2 1362/4885

“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.