SCHEMBL5849775

SCHEMBL5849775

CCc1cc2c(N3CCN(C(=O)C4CCCN4C(=O)OC(C)(C)C)CC3)ncnc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.56
MEN1 O00255 9/20 0.54
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 2/20 0.50
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL5850792 0.97 P2RY12 (0.55) P2RY12MEN1KMT2AALDH1A1TSHR
SCHEMBL19979444 0.91 P2RY12 (0.51) P2RY12MEN1KMT2A
SCHEMBL5850685 0.86 P2RY12 (0.55) P2RY12MEN1KMT2AALDH1A1TSHR
SCHEMBL5850552 0.85 P2RY12 (0.68) P2RY12MEN1KMT2AALDH1A1TSHR
SCHEMBL5849430 0.85 P2RY12 (0.58) P2RY12MEN1KMT2AALDH1A1TSHR
SCHEMBL21160534 0.82 MEN1 (0.54) P2RY12MEN1KMT2A
SCHEMBL21169458 0.81 MEN1 (0.43) P2RY12MEN1KMT2A
SCHEMBL19992126 0.81 MEN1 (0.43) P2RY12MEN1KMT2A
SCHEMBL21169469 0.81 MEN1 (0.43) P2RY12MEN1KMT2A
SCHEMBL5849560 0.80 MEN1 (0.69) P2RY12MEN1KMT2AALDH1A1TSHR

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 P2RY12 111/4885MEN1 2603/4885KMT2A 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.