SCHEMBL4839233

SCHEMBL4839233

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
AMY1A P0DUB6 6/20 0.40
CDK4 P11802 5/20 0.40
CCNA2 P20248 5/20 0.40
CCND1 P24385 5/20 0.40
CDK2 P24941 5/20 0.40
CCND3 P30281 5/20 0.40
CHEK1 O14757 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
PDE5A O76074 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LCK P06239 1/20 0.37

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
SCHEMBL13607761 0.84 PDE5A (0.52) AMY1APDE5APDGFRBPDGFRAGAA
SCHEMBL4833945 0.83 AURKA (0.41) AMY1ACDK4CCNA2CCND1CDK2
SCHEMBL11006162 0.81 CDK4 (0.43) ESR1ESR2CDK4CCNA2CCND1
SCHEMBL4839499 0.81 PTGES (0.39) ESR1ESR2AMY1AJAK2
SCHEMBL10689035 0.79 ESR1 (0.42) ESR1ESR2AMY1ACDK4CCNA2
SCHEMBL4834872 0.78 CYP1A1 (0.53) TP53POLBMAPT
Trifluoroacetic Acid SCHEMBL4843458 0.77 PDE5A (0.43) AMY1APDE5AFGFR1HDAC6
SCHEMBL4839487 0.76 TBK1 (0.45) CHEK1KDRPDGFRATP53MAPT
SCHEMBL10675183 0.74 PDE5A (0.51) ESR1ESR2AMY1ACDK4CCNA2
SCHEMBL10676462 0.74 PDE2A (0.50) ESR1ESR2CDK4CCNA2CCND1

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 ESR1 2788/4885ESR2 1362/4885AMY1A 1488/4885

“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.