SCHEMBL5849260

SCHEMBL5849260

CCOC(=O)c1cc2c(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)ncnc2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.45
MEN1 O00255 6/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
TSHR P16473 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL5851309 0.92 P2RY12 (0.45) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5849680 0.90 P2RY12 (0.46) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5848928 0.89 P2RY12 (0.59) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5850752 0.88 P2RY12 (0.44) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5849213 0.87 P2RY12 (0.51) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5849059 0.87 P2RY12 (0.44) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5851220 0.87 P2RY12 (0.44) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5849354 0.86 P2RY12 (0.44) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5850723 0.86 P2RY12 (0.50) P2RY12MEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5849494 0.86 P2RY12 (0.49) P2RY12MEN1ALDH1A1KDM4ESMN1; 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 P2RY12 111/4885MEN1 2603/4885ALDH1A1 3346/4885

“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.