SCHEMBL5848741

SCHEMBL5848741

CCc1cc2c(N3CCN(C(=O)CCCOc4cccc5[nH]nnc45)CC3c3ccccc3)ncnc2s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MDM2 Q00987 2/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 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
SCHEMBL5849225 0.90 P2RY12 (0.45) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5850953 0.90 P2RY12 (0.45) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5849046 0.90 P2RY12 (0.44) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5851262 0.90 P2RY12 (0.47) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5850925 0.89 P2RY12 (0.43) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5848989 0.89 P2RY12 (0.43) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5851379 0.86 P2RY12 (0.56) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5850853 0.83 P2RY12 (0.40) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5848740 0.81 P2RY12 (0.45) P2RY12MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5849704 0.81 P2RY12 (0.47) P2RY12MEN1KMT2AALDH1A1SMN1; 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 2603/4885KMT2A 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.