SCHEMBL13722686

SCHEMBL13722686

N#Cc1cc(-c2cc(C(=O)O)ccn2)ccc1N1CCC(C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.48
KMO O15229 1/20 0.44
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL13123328 0.91 XDH (0.49) XDHKMOIKBKETBK1KDM4C
SCHEMBL3451490 0.90 XDH (0.48) XDHKMOIKBKETBK1KDM4C
SCHEMBL3452416 0.89 XDH (0.50) XDHKMOIKBKETBK1KDM4C
SCHEMBL1331087 0.87 XDH (0.51) XDHKMOTBK1KDM4CKDM5A
SCHEMBL1330399 0.87 XDH (0.51) XDHKMOTBK1KDM4CKDM5A
SCHEMBL3451829 0.87 XDH (0.51) XDHKMOTBK1KDM4CKDM5A
Hydrochloric Acid SCHEMBL1331923 0.86 XDH (0.50) XDHKMOTBK1KDM4CKDM5A
SCHEMBL14383589 0.84 XDH (0.48) XDHKMOKDM4CKDM4A
SCHEMBL13123869 0.82 KDM4E (0.40) XDHTBK1
SCHEMBL1331290 0.79 XDH (0.52) XDHKMOKDM4CKDM4A

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
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US disclosed
EP-1783116-A1 2-PHENYLPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP 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-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA XDH 2/4885KMO 620/4885IKBKE 328/4885

“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.