SCHEMBL4833945

SCHEMBL4833945

COc1cc(N(C)C)ccc1-c1nc2cc(Br)cnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
LCK P06239 1/20 0.38
FGFR1 P11362 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
PDE2A O00408 1/20 0.37
AMY1A P0DUB6 6/20 0.37
PDE5A O76074 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35

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 0.83 ESR1 (0.41) PDGFRBPDGFRALCKFGFR1CDK4
SCHEMBL13607761 0.82 PDE5A (0.52) AURKAPDGFRBPDGFRAAMY1APDE5A
SCHEMBL13607853 0.76 AURKA (0.51) AURKAKDM4EALDH1A1MAPT
SCHEMBL10917266 0.76 PDE5A (0.49) AURKAPDGFRBPDGFRALCKFGFR1
SCHEMBL10734321 0.76 PDE2A (0.51) AURKAPDGFRBPDGFRALCKFGFR1
SCHEMBL7271919 0.74 PDE5A (0.53) AURKAPDGFRBPDGFRALCKFGFR1
SCHEMBL4841493 0.74 NPC1 (0.50) AURKACDK2KDM4EALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL4843458 0.73 PDE5A (0.43) AURKAFGFR1AMY1APDE5AL3MBTL1
SCHEMBL4834872 0.71 CYP1A1 (0.53) CYP1A2KDM4EALDH1A1MAPT
SCHEMBL13607852 0.71 PDGFRB (0.47) PDGFRBPDGFRAAMY1AKDM4EALDH1A1

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 AURKA 512/4885PDGFRB 1267/4885PDGFRA 1047/4885

“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.