SCHEMBL5467461

SCHEMBL5467461

CC(C)(C)c1ccc(Nc2nc(N)nc(OCc3ccccc3F)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MPO P05164 1/20 0.39
MGMT P16455 1/20 0.39
SLC29A2 Q14542 1/20 0.39
SLC29A1 Q99808 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTT P42858 4/20 0.38
USP2 O75604 1/20 0.38
CFTR P13569 1/20 0.37
SYK P43405 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL5476172 0.92 MEN1 (0.43) LMNATDP1KMT2AMEN1L3MBTL1
SCHEMBL5470986 0.87 RORC (0.43) LMNATDP1KMT2AMEN1L3MBTL1
SCHEMBL5476920 0.86 ALDH1A1 (0.43) LMNAKMT2AMEN1L3MBTL1MAPT
SCHEMBL5483175 0.82 KCNH3 (0.48) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL5467459 0.79 LMNA (0.47) LMNATDP1KMT2AMEN1L3MBTL1
SCHEMBL5471801 0.78 POLB (0.48) LMNATDP1KMT2AMEN1L3MBTL1
SCHEMBL5474346 0.77 PDE4B (0.46) LMNATDP1KMT2AMEN1L3MBTL1
SCHEMBL5477116 0.76 PTGS2 (0.45) LMNATDP1KMT2AMEN1L3MBTL1
SCHEMBL5473013 0.75 LMNA (0.44) LMNATDP1KMT2AMEN1L3MBTL1
SCHEMBL5470932 0.73 MAPT (0.43) LMNAKMT2AMEN1MAPTALDH1A1

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-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 US claimed
EP-1648877-A1 SUBSTITUTED PYRIDIN-2-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-26 EP claimed
WO-2005009980-A1 SUBSTITUTED PYRIDIN-2-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-02-03 WO claimed
US-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 US disclosed
US-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 US disclosed
US-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 US disclosed
EP-1648877-A1 SUBSTITUTED PYRIDIN-2-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-26 EP disclosed
WO-2005009980-A1 SUBSTITUTED PYRIDIN-2-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-02-03 WO 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-20070161637-A1 Substituted pyridin-2-ylamine analogues PIGS, GPR35, GPR174 DHFR 552/4885LMNA 1103/4885TDP1 2344/4885

“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.