SCHEMBL14384228

SCHEMBL14384228

N#Cc1cc(-c2nccc(C(=O)O)c2F)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.52
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ TBK1 Q9UHD2 6/20 0.44
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CDC42BPB Q9Y5S2 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CASP1 P29466 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
SCHEMBL13108552 0.82 GAA (0.41) KDM4EALDH1A1PIK3CAHPGDCYP1A2
SCHEMBL13123271 0.82 PDE3B (0.47) XDHPDE3BPDE3ATBK1KDM4E
SCHEMBL13722986 0.78 KDM4E (0.42) XDHKDM4EKMT2A
SCHEMBL13004322 0.77 XDH (0.48) XDHKDM4EALDH1A1LMNAHTT
SCHEMBL3591438 0.76 CNR2 (0.49) XDHKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL16313328 0.75 KDM4E (0.40) XDHKDM4E
SCHEMBL13723419 0.73 KDM4E (0.45) XDHKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL14184585 0.72 XDH (0.45) XDH
SCHEMBL16312946 0.70 XDH (0.54) XDHPDE3BPDE3ATBK1KDM4E
SCHEMBL8867261 0.69 XDH (0.66) XDHPDE3BPDE3AKDM4EPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885PDE3B 677/4885PDE3A 1036/4885

“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.

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