SCHEMBL5850752

SCHEMBL5850752

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.44
MEN1 O00255 8/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 4/20 0.39
GFER P55789 1/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL5849680 0.90 P2RY12 (0.46) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5848928 0.88 P2RY12 (0.59) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL5851309 0.88 P2RY12 (0.45) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5849059 0.88 P2RY12 (0.44) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5851220 0.88 P2RY12 (0.44) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5849260 0.88 P2RY12 (0.45) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5849354 0.88 P2RY12 (0.44) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5849213 0.87 P2RY12 (0.51) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5849494 0.87 P2RY12 (0.49) P2RY12MEN1ALDH1A1KDM4ERAB9A
SCHEMBL5851312 0.87 KDM4E (0.56) P2RY12MEN1ALDH1A1KDM4ERAB9A

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.