SCHEMBL6317836

SCHEMBL6317836

Cc1cnc(NCC(c2ccc3c(c2)CC(=O)N3)P2(=O)CCCO2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.35
GRIA1 P42261 7/20 0.34
MAPKAPK2 P49137 1/20 0.33
CDK2 P24941 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
CDK1 P06493 1/20 0.33
KIT P10721 1/20 0.33
AKT1 P31749 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 1/20 0.33
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
PTK2 Q05397 1/20 0.32
CACNG8 Q8WXS5 2/20 0.31
MAPK1 P28482 1/20 0.31
BCL6 P41182 1/20 0.31
POLQ O75417 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL6319203 0.86 GRIA1 (0.34) CRBNGRIA1MAPKAPK2CDK2CDK1
SCHEMBL6268096 0.84 GRIA1 (0.33) GRIA1MAPKAPK2CDK2CDC7CCNE1
SCHEMBL6319370 0.71
SCHEMBL6317744 0.70 SMYD3 (0.38) CRBNGRIA1MAPKAPK2CDK2IRAK4
SCHEMBL6325622 0.69 EPHX2 (0.34) CRBNGRIA1MAPKAPK2CDK2CDC7
SCHEMBL6326060 0.68 ABL1 (0.33)
SCHEMBL6325348 0.67 GRIA1 (0.32) GRIA1MAPKAPK2CDK2CDC7CCNE1
SCHEMBL6320852 0.67 TDP2 (0.37) GRIA1CDK2IRAK4CDK1KIT
SCHEMBL6324395 0.67 BRD4 (0.35) CDK2IRAK4JAK3CDC7CCNE1
SCHEMBL6317954 0.66 PKM (0.33) GRIA1MAPKAPK2CDK2CDC7CCNE1

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 CRBN 2568/4885GRIA1 2013/4885MAPKAPK2 4227/4885

“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.