SCHEMBL62610

SCHEMBL62610

Cc1ccc(C(C)C)cc1OCc1c(C)nc(-c2cc(C#N)ccc2F)nc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.39
AOC3 Q16853 2/20 0.35
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
SLC6A9 P48067 4/20 0.34
KCNH2 Q12809 2/20 0.34
GPR6 P46095 3/20 0.34
USP14 P54578 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL62219 0.91 C5AR1 (0.47) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL63627 0.90 C5AR1 (0.44) C5AR1BCHEACHEKCNH2
SCHEMBL27685468 0.89 C5AR1 (0.39) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL61839 0.89 C5AR1 (0.39) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL62096 0.87 C5AR1 (0.45) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL63186 0.87 C5AR1 (0.41) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL63081 0.87 C5AR1 (0.43) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL63628 0.86 C5AR1 (0.40) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL62977 0.86 C5AR1 (0.40) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL62925 0.85 C5AR1 (0.43) C5AR1BCHEACHEHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 US claimed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US 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 C5AR1 3/4885AOC3 652/4885BCHE 4067/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 C5AR1 2/4885AOC3 690/4885BCHE 3849/4885

“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.