SCHEMBL910115

SCHEMBL910115

O=c1cc(-c2ccncc2)[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
CDC7 O00311 3/20 0.48
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DYRK1A Q13627 1/20 0.44
FBP1 P09467 2/20 0.42
LRRK2 Q5S007 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 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
SCHEMBL909729 0.78 ADORA2A (0.44) CDC7ADORA2AADORA1
SCHEMBL910216 0.78 IMPDH2 (0.49) PARP1CDC7ADORA2AADORA1TDP1
SCHEMBL465882 0.78 SCN2A (0.47) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL910231 0.76 ADORA2A (0.52) CDC7ADORA2AADORA1
SCHEMBL909732 0.75 CYP1A1 (0.56) CDC7MAPT
SCHEMBL910034 0.74 CDC7 (0.44) CDC7MAPTNPC1MAPK1ADORA2A
SCHEMBL4788120 0.72 LRRK2 (0.56) PARP1PKN1PKN2MAPTNPC1
SCHEMBL9387699 0.72 PARP1 (0.61) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL909804 0.72 ADORA2A (0.48) CDC7ADORA2AADORA1
SCHEMBL910010 0.72 PIK3CG (0.51) CDC7ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872011-B2 Inhibition of phosphoinositide 3-kinase β ASTRAZENECA AB (SE) 2011-01-18 US disclosed
US-7598377-B2 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy ASTRAZENECA AB (SE) 2009-10-06 US disclosed
US-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta KINACIA PTY. LTD. (AU) 2008-12-25 US disclosed
CN-100430389-C Inhibition of phosphoinositide 3-kinase beta KINACIA PTY LTD (SE) 2008-11-05 CN disclosed
CN-101260104-A Inhibition of phosphoinositide 3-kinase beta ASTRAZENECA AB (SE) 2008-09-10 CN disclosed
US-20060276470-A1 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy ASTRAZENECA AB (SE) 2006-12-07 US disclosed
CN-1688575-A INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD (AU) 2005-10-26 CN disclosed
EP-1537102-A1 INHIBITION OF PHSPHOINOSTIDE 3-DINASE BETA Kinacia Pty Ltd. (AU) 2005-06-08 EP disclosed
WO-2004016607-A1 INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD. (AU) 2004-02-26 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-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta PI4KB, PI4KA, PI4K2B PARP1 878/4885CDC7 188/4885PKN1 328/4885
US-20060276470-A1 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy PI4KA, PI4KB, PI4K2B PARP1 815/4885CDC7 232/4885PKN1 261/4885

“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.