SCHEMBL3452416

SCHEMBL3452416

CC1CCN(c2ccc(-c3cc(C(=O)O)ccn3)cc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NR4A1 P22736 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMO O15229 1/20 0.44
KDM2B Q8NHM5 2/20 0.43
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
USP2 O75604 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
SCHEMBL13123328 0.91 XDH (0.49) XDHKDM4EKMOKDM2BIKBKE
SCHEMBL3451490 0.90 XDH (0.48) XDHKMOKDM2BIKBKETBK1
SCHEMBL13722686 0.89 XDH (0.48) XDHKMOKDM2BIKBKETBK1
SCHEMBL1330399 0.87 XDH (0.51) XDHKDM4EPOLBGAAHSD17B10
SCHEMBL1331087 0.87 XDH (0.51) XDHKDM4EPOLBGAAHSD17B10
SCHEMBL3451829 0.87 XDH (0.51) XDHKDM4EPOLBGAAHSD17B10
Hydrochloric Acid SCHEMBL1331923 0.86 XDH (0.50) XDHKDM4EPOLBGAAHSD17B10
SCHEMBL14383589 0.84 XDH (0.48) XDHKDM4EKMOJMJD6KDM4C
SCHEMBL1331290 0.79 XDH (0.52) XDHKDM4EKMOJMJD6KDM4C
SCHEMBL13723275 0.78 XDH (0.46) XDHKDM4EKMOKDM2BKDM4C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 US claimed
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP claimed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US claimed
EP-1783116-A1 2-PHENYLPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP claimed
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 US disclosed
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 2/4885KDM4E 739/4885POLB 88/4885

“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.