SCHEMBL74248

SCHEMBL74248

CCc1cccc(CC)c1-c1ncc(CN(C)[C@H]2CCCc3ccccc32)c(-n2ccc(=O)[nH]2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
P4HB P07237 1/20 0.37
C5AR1 P21730 3/20 0.36
SPR P35270 1/20 0.36
ALDH1A1 P00352 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.32
CXCR4 P61073 4/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRB3 P13945 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 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
SCHEMBL61777 0.89 MEN1 (0.38) MEN1KMT2AP4HBC5AR1SPR
SCHEMBL74254 0.82 ALDH1A1 (0.40) MEN1KMT2AP4HBC5AR1ALDH1A1
SCHEMBL64660 0.76 ALDH1A1 (0.42) MEN1KMT2AP4HBC5AR1ALDH1A1
SCHEMBL62216 0.75 MEN1 (0.40) MEN1KMT2AP4HBC5AR1ALDH1A1
SCHEMBL62204 0.75 MEN1 (0.40) MEN1KMT2AP4HBC5AR1ALDH1A1
SCHEMBL61973 0.75 MEN1 (0.39) MEN1KMT2AP4HBC5AR1SPR
SCHEMBL60824 0.75 MEN1 (0.40) MEN1KMT2AP4HBC5AR1ALDH1A1
SCHEMBL61689 0.75 MEN1 (0.40) MEN1KMT2AP4HBC5AR1ALDH1A1
SCHEMBL62259 0.74 MEN1 (0.38) MEN1KMT2AP4HBC5AR1SPR
SCHEMBL72481 0.74 MEN1 (0.38) MEN1KMT2AP4HBC5AR1SPR

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 4 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

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.