SCHEMBL5850852

SCHEMBL5850852

CCc1cc2c(N3C[C@H](C)N(C(=O)CCCOn4nnc5ccccc54)C[C@H]3C)ncnc2s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.41
MEN1 O00255 9/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5849701 0.89 P2RY12 (0.47) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5850946 0.89 P2RY12 (0.45) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5849221 0.89 P2RY12 (0.45) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5849041 0.84 P2RY12 (0.45) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5848986 0.83 P2RY12 (0.43) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5848740 0.83 P2RY12 (0.45) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5848928 0.83 P2RY12 (0.59) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5851257 0.82 P2RY12 (0.48) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5850853 0.79 P2RY12 (0.40) P2RY12MEN1SMN1; SMN2TSHRNPSR1
SCHEMBL5849213 0.77 P2RY12 (0.51) P2RY12MEN1SMN1; SMN2TSHRNPSR1

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 2603/4885SMN1; SMN2 4536/4885

“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.