SCHEMBL5850898

SCHEMBL5850898

CCc1cc2c(N3CCN(C(=O)CCCCC(=O)c4ccc(C)cc4)CC3)ncnc2s1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.63
P2RY12 Q9H244 6/20 0.63
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 2/20 0.57
HRH4 Q9H3N8 1/20 0.54
HTT P42858 2/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL5849308 0.98 MEN1 (0.63) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5851316 0.93 P2RY12 (0.65) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5851330 0.93 MEN1 (0.74) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5849224 0.92 MEN1 (0.62) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5850820 0.92 P2RY12 (0.64) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5850875 0.92 P2RY12 (0.64) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5849566 0.91 P2RY12 (0.65) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5851421 0.91 MEN1 (0.74) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5849471 0.90 MEN1 (0.60) MEN1P2RY12KMT2AALDH1A1HRH4
SCHEMBL5849538 0.90 MEN1 (0.62) MEN1P2RY12KMT2AALDH1A1HRH4

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 3 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
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO 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 111/4885KMT2A 1823/4885

“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.