SCHEMBL91126

SCHEMBL91126

CCNc1nc(-c2c(CC)cccc2CC)nc(C)c1CN(C)[C@H]1CCCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
XBP1 P17861 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
P4HB P07237 1/20 0.37
RAB9A P51151 1/20 0.36
CXCR4 P61073 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
P2RX7 Q99572 1/20 0.33
SPR P35270 1/20 0.33
TAS2R14 Q9NYV8 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
SCHEMBL64021 0.93 HTT (0.38) C5AR1ALDH1A1HTTXBP1MEN1
SCHEMBL64660 0.91 ALDH1A1 (0.42) C5AR1ALDH1A1HTTXBP1MEN1
SCHEMBL62659 0.90 MEN1 (0.36) C5AR1ALDH1A1HTTXBP1MEN1
SCHEMBL62648 0.90 C5AR1 (0.38) C5AR1ALDH1A1HTTXBP1MEN1
SCHEMBL62254 0.88 KMT2A (0.38) ALDH1A1HTTMEN1KMT2AP4HB
SCHEMBL63172 0.88 KMT2A (0.38) ALDH1A1HTTMEN1KMT2AP4HB
SCHEMBL62223 0.87 ALDH1A1 (0.40) C5AR1ALDH1A1HTTXBP1MEN1
SCHEMBL61755 0.87 MEN1 (0.36) C5AR1ALDH1A1HTTXBP1MEN1
SCHEMBL62244 0.86 C5AR1 (0.42) C5AR1ALDH1A1HTTXBP1MEN1
SCHEMBL72756 0.86 C5AR1 (0.42) C5AR1ALDH1A1HTTXBP1MEN1

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 2 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-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 C5AR1 2/4885ALDH1A1 1684/4885HTT 4501/4885

“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.