SCHEMBL6319203

SCHEMBL6319203

Cc1cc(C)nc(NCC(c2ccc3c(c2)CC(=O)N3)P2(=O)CCCO2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.34
EPHX2 P34913 2/20 0.33
CDK2 P24941 3/20 0.33
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
PTK2 Q05397 2/20 0.33
MAPKAPK2 P49137 1/20 0.32
CACNG8 Q8WXS5 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
AHR P35869 1/20 0.31
PTK2B Q14289 1/20 0.31
BCL6 P41182 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CRBN Q96SW2 1/20 0.30
AKT1 P31749 2/20 0.30
CDK1 P06493 1/20 0.30
KIT P10721 1/20 0.30
KDR P35968 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
SCHEMBL6268096 0.87 GRIA1 (0.33) GRIA1CDK2CDC7CCNE1DBF4
SCHEMBL6317836 0.86 CRBN (0.35) GRIA1CDK2CDC7CCNE1DBF4
SCHEMBL6325622 0.83 EPHX2 (0.34) GRIA1EPHX2CDK2CDC7CCNE1
SCHEMBL6325348 0.70 GRIA1 (0.32) GRIA1CDK2CDC7CCNE1DBF4
SCHEMBL6317954 0.69 PKM (0.33) GRIA1CDK2CDC7CCNE1DBF4
SCHEMBL6320199 0.68 PKM (0.31) MAPKAPK2PDE3BPDE3A
SCHEMBL6323006 0.67 PDE3B (0.33) GRIA1PTK2MAPKAPK2CACNG8PDE3B
SCHEMBL6318789 0.67 MAP3K11 (0.35) GRIA1MAPKAPK2CACNG8PDE3BPDE3A
SCHEMBL6320852 0.66 TDP2 (0.37) GRIA1CDK2CDC7CCNE1DBF4
SCHEMBL6324395 0.66 BRD4 (0.35) CDK2CDC7CCNE1DBF4PTK2

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 3 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
US-6906226-B2 Hydroxymethyl-substituted polyfunctional phenols HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2005-06-14 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL GRIA1 2013/4885EPHX2 1627/4885CDK2 1197/4885

“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.