SCHEMBL62506

SCHEMBL62506

CCc1cccc(CC)c1-c1nc(C)c(COc2cc(C(C)C)ccc2C)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.39
BCHE P06276 8/20 0.39
C5AR1 P21730 1/20 0.37
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYR P14679 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL62344 0.93 ACHE (0.43) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL63035 0.89 ACHE (0.39) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL61723 0.87 ACHE (0.39) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL1327641 0.84 C5AR1 (0.43) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL61719 0.82 ACHE (0.37) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL73004 0.81 ACHE (0.35) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL61523 0.81 ACHE (0.44) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL62621 0.81 ACHE (0.40) ACHEBCHEC5AR1TYRL3MBTL1
SCHEMBL62161 0.81 C5AR1 (0.40) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL63161 0.80 ACHE (0.43) ACHEBCHEHTTSMN1; SMN2TYR

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-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 US disclosed
EP-1745033-A4 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORP (US) 2009-08-26 EP disclosed
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 US disclosed
CN-1976918-A 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORP (US) 2007-06-06 CN disclosed
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 EP disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 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 (2 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-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 ACHE 2981/4885BCHE 4067/4885C5AR1 3/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 ACHE 2832/4885BCHE 3849/4885C5AR1 2/4885

“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.