SCHEMBL4956728

SCHEMBL4956728

Nc1nc(CCC2CCCCC2)nc2nc(CBr)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
HRH4 Q9H3N8 1/20 0.38
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CCNA1 P78396 1/20 0.32

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
SCHEMBL4956727 0.87 CCNA2 (0.39) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL4954191 0.84 HRH4 (0.39) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL5366207 0.82 HRH4 (0.39) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL5368162 0.77 CCNA2 (0.36) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL4958939 0.76 HRH4 (0.36) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL5357839 0.71 PNP (0.42)
SCHEMBL4954810 0.70 CCNA2 (0.36) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL5358288 0.69 ALDH1A1 (0.34) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL5361170 0.68 HRH4 (0.39) HRH4POLBGAA
Hydrochloric Acid SCHEMBL17186497 0.63 PNP (0.51)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP disclosed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 US disclosed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 US disclosed
US-6946115-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2005-09-20 US disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 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 (2 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-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds HCRTR2, CYP2R1, SLC22A8 CCNA2 268/4885CDK2 93/4885CDK1 541/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK CCNA2 899/4885CDK2 449/4885CDK1 881/4885

“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.