SCHEMBL62776

SCHEMBL62776

CCOC(=O)C1CCN(c2nc(-c3c(CC)cccc3CC)nc(C)c2CN(C)[C@H]2CCCc3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
MAPT P10636 5/20 0.42
KDM4E B2RXH2 6/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
P4HB P07237 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL61753 0.92 MEN1 (0.40) HPGDMAPTKDM4EALDH1A1MEN1
SCHEMBL62095 0.91 MEN1 (0.40) HPGDMAPTALDH1A1TSHRMEN1
SCHEMBL62980 0.89 MEN1 (0.40) ALDH1A1MEN1KMT2AP4HBXBP1
SCHEMBL62204 0.89 MEN1 (0.40) ALDH1A1MEN1KMT2AP4HBXBP1
SCHEMBL62216 0.89 MEN1 (0.40) ALDH1A1MEN1KMT2AP4HBXBP1
SCHEMBL62778 0.88 MEN1 (0.39) ALDH1A1TSHRMEN1KMT2AP4HB
SCHEMBL72516 0.88 MEN1 (0.43) ALDH1A1MEN1KMT2AP4HBXBP1
SCHEMBL60824 0.88 MEN1 (0.40) ALDH1A1MEN1KMT2AP4HBXBP1
SCHEMBL61689 0.88 MEN1 (0.40) ALDH1A1MEN1KMT2AP4HBXBP1
SCHEMBL61684 0.88 MEN1 (0.39) ALDH1A1MEN1KMT2AP4HBXBP1

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 13 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 claimed
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 HPGD 2436/4885MAPT 4738/4885KDM4E 2238/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 HPGD 2784/4885MAPT 4669/4885KDM4E 2149/4885

“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.