SCHEMBL72863

SCHEMBL72863

CCc1cccc(CC)c1-c1nc(C)c(CN(C)C2CCCc3ccccc32)c(N2CCN(C(C)=O)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
P4HB P07237 1/20 0.42
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
CXCR4 P61073 7/20 0.37
GAA P10253 1/20 0.36
RORC P51449 2/20 0.35
RAB9A P51151 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
KCNH2 Q12809 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
SCHEMBL62909 1.00 MEN1 (0.42) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL63341 0.91 CXCR4 (0.44) MEN1KMT2AP4HBCXCR4KCNH2
SCHEMBL63372 0.91 CXCR4 (0.42) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL62216 0.91 MEN1 (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL62204 0.91 MEN1 (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL60824 0.90 MEN1 (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL61689 0.90 MEN1 (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL62980 0.90 MEN1 (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL62217 0.90 MEN1 (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL62583 0.89 MEN1 (0.43) MEN1KMT2AP4HBALDH1A1XBP1

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 6 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 MEN1 4455/4885KMT2A 3586/4885P4HB 3058/4885

“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.