SCHEMBL62487

SCHEMBL62487

CCc1cccc(CC)c1-c1nc(C)c(COc2cc(C(C)C)ccc2C)c(N2CCNC(C(=O)OC)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.35
ACHE P22303 12/20 0.35
C5AR1 P21730 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL63437 0.93 BCHE (0.35) BCHEACHEC5AR1L3MBTL1
SCHEMBL62829 0.89 C5AR1 (0.39) BCHEACHEC5AR1L3MBTL1
SCHEMBL63332 0.87 BCHE (0.36) BCHEACHEC5AR1L3MBTL1
SCHEMBL62161 0.85 C5AR1 (0.40) BCHEACHEC5AR1L3MBTL1
SCHEMBL72814 0.83 C5AR1 (0.40) BCHEACHEC5AR1L3MBTL1
SCHEMBL62043 0.82 BCHE (0.36) BCHEACHEC5AR1L3MBTL1
SCHEMBL3824019 0.82 NOTUM (0.39) BCHEACHEC5AR1L3MBTL1
SCHEMBL62946 0.82 C5AR1 (0.43) BCHEACHEC5AR1
SCHEMBL61869 0.82 NOTUM (0.39) BCHEACHEC5AR1L3MBTL1
SCHEMBL62614 0.82 NOTUM (0.39) BCHEACHEC5AR1L3MBTL1

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

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