SCHEMBL61755

SCHEMBL61755

CCc1cccc(CC)c1-c1nc(C)c(CN(C)[C@H]2CCCc3ccccc32)c(NC(C)CO)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
P4HB P07237 1/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.35
C5AR1 P21730 7/20 0.35
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRB3 P13945 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL62631 0.91 C5AR1 (0.37) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL62659 0.87 MEN1 (0.36) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL91126 0.87 C5AR1 (0.38) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL64660 0.86 ALDH1A1 (0.42) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL64021 0.85 HTT (0.38) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL61967 0.84 ALDH1A1 (0.41) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL61966 0.84 ALDH1A1 (0.41) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL61482 0.83 MEN1 (0.42) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL62223 0.83 ALDH1A1 (0.40) MEN1KMT2AP4HBHTTALDH1A1
SCHEMBL63076 0.82 MEN1 (0.37) MEN1KMT2AP4HBHTTALDH1A1

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 MEN1 4414/4885KMT2A 3716/4885P4HB 2755/4885
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.