SCHEMBL3856920

SCHEMBL3856920

C=C(COOP(C)(=O)O)Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.48
CDK2 P24941 5/20 0.48
CDK1 P06493 4/20 0.48
CCNB1 P14635 4/20 0.48
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
NT5E P21589 1/20 0.37
CYP3A4 P08684 1/20 0.35
FGFR1 P11362 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
ENPP1 P22413 1/20 0.34
POLB P06746 2/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL3850993 0.90 HSP90AB1 (0.43) HSP90AA1HSP90AB1HDAC1HDAC6HDAC4
SCHEMBL3856913 0.82 FGFR1 (0.48) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3857914 0.82 HPRT1 (0.53) POLB
SCHEMBL3861092 0.78 CCNE1 (0.48) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3856914 0.78 CCNE1 (0.50) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3850990 0.78 HSP90AB1 (0.46) HSP90AA1HSP90AB1HDAC1HDAC6HDAC4
SCHEMBL3853190 0.77 CDK1 (0.44) CCNE1CDK2CDK1CCNB1NT5E
SCHEMBL13714851 0.75 CCNE1 (0.47) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3859183 0.75 CDK1 (0.49) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL6005006 0.75 CDK1 (0.46) CCNE1CDK2CDK1CCNB1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
EP-1656387-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-05-17 EP disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 US disclosed
WO-2005012324-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2005-02-10 WO 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-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 CCNE1 522/4885CDK2 323/4885CDK1 359/4885

“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.