SCHEMBL5850909

SCHEMBL5850909

CCc1cc2c(N3CCN(C(=O)C4CN(C(=O)OC(C)(C)C)CC4c4ccccc4)CC3)ncnc2s1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
P2RY12 Q9H244 6/20 0.59
HTT P42858 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
USP7 Q93009 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
KIT P10721 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL5850552 0.83 P2RY12 (0.68) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5848993 0.81 MEN1 (0.65) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849430 0.81 P2RY12 (0.58) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5851093 0.81 MEN1 (0.54) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5850685 0.80 P2RY12 (0.55) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849270 0.78 P2RY12 (0.62) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849244 0.78 MEN1 (0.60) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849775 0.78 P2RY12 (0.56) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5850792 0.77 P2RY12 (0.55) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849351 0.77 MEN1 (0.63) MEN1P2RY12HTTTSHRSMN1; SMN2

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-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 MEN1 2603/4885P2RY12 111/4885HTT 65/4885

“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.