SCHEMBL599458

SCHEMBL599458

O=C1NCc2c1ccc1ncsc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
CDK5 Q00535 2/20 0.42
LTK P29376 1/20 0.42
MST1R Q04912 1/20 0.42
PIM1 P11309 3/20 0.40
ROCK1 Q13464 3/20 0.40
DYRK1B Q9Y463 2/20 0.40
CSNK1A1 P48729 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MAP3K11 Q16584 3/20 0.34
TLK2 Q86UE8 1/20 0.34
NEK7 Q8TDX7 1/20 0.34
NEK6 Q9HC98 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 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
SCHEMBL7667490 0.74 MAP3K11 (0.32) MAP3K11TLK2NEK7NEK6
SCHEMBL25757654 0.74 CLK4 (0.42) DYRK1ACLK4CDK5LTKMST1R
SCHEMBL25757652 0.69 CDK5 (0.41) DYRK1ACLK4CDK5LTKMST1R
SCHEMBL31451620 0.69 CDK5 (0.41) DYRK1ACLK4CDK5LTKMST1R
SCHEMBL16335317 0.68 DYRK1A (0.40) DYRK1ACLK4CDK5LTKMST1R
SCHEMBL5873762 0.68 MAP3K11 (0.40) DYRK1ACLK4CDK5DYRK1BMAP3K11
SCHEMBL2722669 0.67 ALDH1A1 (0.46) DYRK1AMAP3K11TLK2NEK7NEK6
SCHEMBL12321662 0.67 NOTUM (0.41) MAP3K11TLK2NEK7NEK6ACHE
SCHEMBL807493 0.66 MAP3K11 (0.38) DYRK1ACLK4CDK5LTKDYRK1B
SCHEMBL6807733 0.66 DYRK1A (0.41) DYRK1ACLK4CDK5LTKMST1R

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559815-B1 OPTICALLY ACTIVE THIAZOLOISOINDOLINONE DERIVATIVES WITH AN ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1995-09-06 EP claimed
EP-0559815-A1 OPTICALLY ACTIVE THIAZOLOISOINDOLINONE DERIVATIVES WITH AN ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1993-09-15 EP claimed
WO-1992009606-A1 OPTICALLY ACTIVE THIAZOLOISOINDOLINONE DERIVATIVES WITH AN ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1992-06-11 WO claimed
US-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 US disclosed
US-20160158266-A1 2' FLUORONUCLEOSIDES EMORY UNIVERSITY 2016-06-09 US disclosed
US-9180138-B2 2′-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-11-10 US disclosed
US-20130157971-A1 2'-FLUORONUCLEOSIDES SCHINAZI RAYMOND F (US) 2013-06-20 US disclosed
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 US disclosed
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US disclosed
EP-2470194-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences Inc. (US) 2012-07-04 EP disclosed
US-8168583-B2 2-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-05-01 US disclosed
US-5397794-A Treatment of retrovirus BOEHRINGER MANNHEIM GMBH (DE) 1995-03-14 US disclosed
US-5397794-A Treatment of retrovirus BOEHRINGER MANNHEIM GMBH (DE) 1995-03-14 US disclosed
EP-0556245-B1 USE OF THIAZOLO-ISOINDOLINONE DERIVATIVES AS ANTIVIRAL MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1995-01-25 EP disclosed
EP-0559815-A1 OPTICALLY ACTIVE THIAZOLOISOINDOLINONE DERIVATIVES WITH AN ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1993-09-15 EP disclosed
EP-0559815-A1 OPTICALLY ACTIVE THIAZOLOISOINDOLINONE DERIVATIVES WITH AN ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1993-09-15 EP disclosed
EP-0556245-A1 USE OF THIAZOLO-ISOINDOLINONE DERIVATIVES AS ANTIVIRAL MEDICAMENTS. BOEHRINGER MANNHEIM GMBH (DE) 1993-08-25 EP disclosed
WO-1992009606-A1 OPTICALLY ACTIVE THIAZOLOISOINDOLINONE DERIVATIVES WITH AN ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1992-06-11 WO disclosed
WO-1992009606-A1 OPTICALLY ACTIVE THIAZOLOISOINDOLINONE DERIVATIVES WITH AN ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1992-06-11 WO disclosed
WO-1992008457-A1 USE OF THIAZOLO-ISOINDOLINONE DERIVATIVES AS ANTIVIRAL MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1992-05-29 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-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 DYRK1A 4183/4885CLK4 3774/4885CDK5 357/4885
US-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 DYRK1A 4705/4885CLK4 4187/4885CDK5 3294/4885
US-20130157971-A1 2'-FLUORONUCLEOSIDES PNP, BCL3, FUBP3 DYRK1A 4741/4885CLK4 4293/4885CDK5 3386/4885

“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.