SCHEMBL6323006

SCHEMBL6323006

Cc1c[nH]c(NCC(c2ccc3c(c2)CC(=O)N3)P2(=O)N[C@@H](C)[C@H](C)N2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GRIA1 P42261 3/20 0.33
MAPKAPK2 P49137 1/20 0.32
GRIN2B Q13224 1/20 0.32
CACNG8 Q8WXS5 2/20 0.32
MTOR P42345 1/20 0.32
SMYD3 Q9H7B4 3/20 0.32
OPRD1 P41143 1/20 0.31
AHR P35869 1/20 0.31
PTK2 Q05397 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL6318789 0.84 MAP3K11 (0.35) PDE3BPDE3AGRIA1MAPKAPK2GRIN2B
SCHEMBL6256396 0.82 EPHX2 (0.32) GRIA1MAPKAPK2GRIN2BCACNG8SMYD3
SCHEMBL6325348 0.82 GRIA1 (0.32) PDE3BPDE3AGRIA1MAPKAPK2CACNG8
SCHEMBL6268096 0.81 GRIA1 (0.33) GRIA1MAPKAPK2CACNG8
SCHEMBL6268458 0.73 MAPKAPK2 (0.32) PDE3BPDE3AMAPKAPK2GRIN2BBMPR1B
SCHEMBL6320199 0.73 PKM (0.31) PDE3BPDE3AMAPKAPK2
SCHEMBL6317954 0.72 PKM (0.33) PDE3BPDE3AGRIA1MAPKAPK2GRIN2B
SCHEMBL6325622 0.68 EPHX2 (0.34) PDE3BPDE3AGRIA1MAPKAPK2CACNG8
SCHEMBL6319203 0.67 GRIA1 (0.34) PDE3BPDE3AGRIA1MAPKAPK2CACNG8
SCHEMBL6317836 0.65 CRBN (0.35) PDE3BPDE3AGRIA1MAPKAPK2CACNG8

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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL PDE3B 1124/4885PDE3A 1209/4885GRIA1 2013/4885

“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.