SCHEMBL5849768

SCHEMBL5849768

CCc1cc2c(N3CCN(C(=O)C4CCCC(Cn5nc6ccccc6n5)C4)CC3)ncnc2s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.59
P2RY12 Q9H244 6/20 0.59
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 2/20 0.48
HRH4 Q9H3N8 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL5851606 0.90 MEN1 (0.62) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL5851339 0.88 MEN1 (0.54) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL5849716 0.86 MEN1 (0.60) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL5848991 0.82 MEN1 (0.65) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL5849560 0.81 MEN1 (0.69) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL7053447 0.80 MEN1 (0.59) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL5851535 0.78 MEN1 (0.45) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL7062866 0.78 MEN1 (0.64) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL5851408 0.78 MEN1 (0.57) MEN1P2RY12KMT2AALDH1A1TSHR
SCHEMBL7052231 0.78 MEN1 (0.59) MEN1P2RY12KMT2AALDH1A1TSHR

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.