SCHEMBL4246003

SCHEMBL4246003

Cn1c(CN2CCOCC2)nc2ccc(C=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 2/20 0.47
GRM2 Q14416 4/20 0.46
THRB P10828 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
DRD4 P21917 3/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL17678330 0.82 POLB (0.49) POLBLMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL4245935 0.80 TRPC5 (0.48) POLBLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4241859 0.79 GRM2 (0.48) POLBLMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL15730124 0.79 GRM2 (0.71) POLBLMNASMN1; SMN2MAPK1GRM2
SCHEMBL4249453 0.77 HDAC1 (0.46) POLBLMNAALDH1A1RECQLKDM4E
SCHEMBL17678163 0.75 POLB (0.44) POLBLMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL4238440 0.74 MAPK1 (0.44) POLBLMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL4238446 0.74 MAPK1 (0.44) POLBLMNAALDH1A1SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL1391137 0.73 POLB (0.56) POLBLMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL30409773 0.72 CNR1 (0.47) POLBALDH1A1SMN1; SMN2TSHRKDM4E

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 11 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 disclosed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
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
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US 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
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 POLB 3279/4885LMNA 1240/4885ALDH1A1 3962/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA POLB 3951/4885LMNA 4788/4885ALDH1A1 1198/4885

“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.