SCHEMBL4240334

SCHEMBL4240334

CN1CCN(CCCn2cnc3ccc(C=C4SC(Nc5c(Cl)cccc5Cl)=NC4=O)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.42
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
IKBKB O14920 1/20 0.36
FGFR1 P11362 4/20 0.36
SRC P12931 4/20 0.36
CISD1 Q9NZ45 1/20 0.36
HTR1A P08908 3/20 0.36
HDAC1 Q13547 1/20 0.36
MCHR1 Q99705 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
HTR7 P34969 2/20 0.34
MELK Q14680 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL4240333 1.00 ENPP2 (0.42) ENPP2PIM1PIM3PIM2IKBKB
SCHEMBL4242455 0.91 ENPP2 (0.41) ENPP2PIM1PIM3PIM2IKBKB
SCHEMBL4242458 0.91 ENPP2 (0.41) ENPP2PIM1PIM3PIM2IKBKB
SCHEMBL4242444 0.91 ACVR1 (0.40) FGFR1SRC
SCHEMBL4242447 0.91 ACVR1 (0.40) FGFR1SRC
SCHEMBL4242457 0.89 HDAC1 (0.40) ENPP2PIM1PIM3PIM2CISD1
SCHEMBL4242454 0.89 HDAC1 (0.40) ENPP2PIM1PIM3PIM2CISD1
SCHEMBL4249791 0.88 HDAC1 (0.41) ENPP2CISD1HDAC1MCHR1
SCHEMBL4249794 0.88 HDAC1 (0.41) ENPP2CISD1HDAC1MCHR1
SCHEMBL4242647 0.87 ALOX5 (0.39) ENPP2SRCCISD1HDAC1

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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 (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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ENPP2 1265/4885PIM1 2613/4885PIM3 1144/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ENPP2 562/4885PIM1 169/4885PIM3 126/4885

“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.