SCHEMBL3856913

SCHEMBL3856913

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
HPRT1 P00492 6/20 0.43
ENPP1 P22413 1/20 0.42
NT5E P21589 1/20 0.42
PNP P00491 3/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL3850987 0.90 HDAC6 (0.45) FGFR1SLC22A6HPRT1NT5EPNP
SCHEMBL3859183 0.88 CDK1 (0.49) FGFR1SLC22A6CDK1CCNB1CCNE1
SCHEMBL3859201 0.88 CDK1 (0.49) FGFR1SLC22A6CDK1CCNB1CCNE1
SCHEMBL3861102 0.83 POLB (0.61) NT5EPOLB
SCHEMBL3856920 0.82 CCNE1 (0.48) FGFR1SLC22A6CDK1CCNB1CCNE1
SCHEMBL3857906 0.81 HPRT1 (0.66) HPRT1PNPPOLB
Pmedap SCHEMBL215611 0.81 FGFR1 (0.72) FGFR1SLC22A6CDK1CCNB1CCNE1
Pmedap SCHEMBL29571667 0.81 FGFR1 (0.72) FGFR1SLC22A6CDK1CCNB1CCNE1
SCHEMBL6005006 0.81 CDK1 (0.46) CDK1CCNB1CCNE1CDK2ENPP1
SCHEMBL3850956 0.80 CYP3A4 (0.52) FGFR1SLC22A6CDK1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 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 (3 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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 FGFR1 3686/4885SLC22A6 1014/4885CDK1 359/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP FGFR1 1934/4885SLC22A6 4681/4885CDK1 124/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 FGFR1 3686/4885SLC22A6 1014/4885CDK1 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.