SCHEMBL61523

SCHEMBL61523

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.44
BCHE P06276 7/20 0.38
C5AR1 P21730 2/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYR P14679 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL61723 0.85 ACHE (0.39) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL62344 0.85 ACHE (0.43) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL61719 0.82 ACHE (0.37) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL62338 0.82 BCHE (0.44) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL62506 0.81 ACHE (0.39) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL73004 0.79 ACHE (0.35) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL63559 0.78 HTT (0.56) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL64322 0.77 HTT (0.55) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL62402 0.76 HTT (0.46) ACHEBCHEC5AR1HTTSMN1; SMN2
SCHEMBL3822472 0.76 BCHE (0.39) ACHEBCHEC5AR1HTTSMN1; 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-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 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 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.