SCHEMBL5474346

SCHEMBL5474346

COc1ccccc1COc1nc(Nc2ccc(C(C)(C)C)cc2)nc(OCc2ccccc2OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
PTK2 Q05397 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
AURKA O14965 1/20 0.39
ABCB1 P08183 1/20 0.39
IDO1 P14902 1/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5470932 0.92 MAPT (0.43) PDE4BPDE4DMAPTLMNAMEN1
SCHEMBL5476920 0.92 ALDH1A1 (0.43) PDE4BPDE4DMAPTLMNAMEN1
SCHEMBL5471801 0.84 POLB (0.48) PDE4BPDE4DMAPTLMNAMEN1
SCHEMBL5476172 0.84 MEN1 (0.43) PDE4BPDE4DMAPTLMNAMEN1
SCHEMBL5467459 0.82 LMNA (0.47) PDE4BPDE4DMAPTLMNAMEN1
SCHEMBL5476954 0.81 GAA (0.49) MAPTMEN1KMT2AALDH1A1PTK2
SCHEMBL5470979 0.81 ALDH1A1 (0.46) PDE4BPDE4DMAPTLMNAMEN1
SCHEMBL5477116 0.79 PTGS2 (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5470964 0.78 PTK2 (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5467461 0.77 DHFR (0.40) MAPTLMNAMEN1KMT2AALDH1A1

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 6 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

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 PDE4B 995/4885PDE4D 1352/4885MAPT 3278/4885

“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.