SCHEMBL4237481

SCHEMBL4237481

O=Cc1ccc2ncn(CCN3CCOCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HDAC1 Q13547 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
CDK9 P50750 1/20 0.41
HDAC2 Q92769 1/20 0.41
ACVR1 Q04771 1/20 0.41
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL14852056 0.94 ACVR1 (0.48) MAPK1ALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL3414135 0.91 HDAC1 (0.53) HDAC1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL16041430 0.81 MAPK1 (0.46) MAPK1ALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL521814 0.81 HSD17B10 (0.49) MAPK1HDAC1ALDH1A1HSD17B10KDM4E
SCHEMBL17678352 0.81 ALDH1A1 (0.51) MAPK1ALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL24233571 0.80 KDM5A (0.53) MAPK1HDAC1ALDH1A1KDM4ECDK9
SCHEMBL13931440 0.79 HDAC1 (0.50) HDAC1ALDH1A1KDM4ESMN1; SMN2ALDH1A3
SCHEMBL520334 0.79 PKM (0.48) ALDH1A1SMN1; SMN2FGFR1
SCHEMBL21025782 0.78 SIGMAR1 (0.48) MAPK1ALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL6871616 0.77 TDP1 (0.69) MAPK1ALDH1A1HSD17B10KDM4ESMN1; SMN2

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 6 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
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 MAPK1 1623/4885HDAC1 2582/4885ALDH1A1 3962/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MAPK1 1490/4885HDAC1 1247/4885ALDH1A1 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.