SCHEMBL910196

SCHEMBL910196

O=c1cc(-c2ccncc2)nc2c(Br)cccn12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.46
CDC7 O00311 4/20 0.46
PIM1 P11309 3/20 0.46
HIPK2 Q9H2X6 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
ROCK2 O75116 2/20 0.46
MAP4K4 O95819 2/20 0.46
PRKACA P17612 2/20 0.46
KDM5B Q9UGL1 1/20 0.43
PSD A5PKW4 1/20 0.39
CDK2 P24941 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MPI P34949 1/20 0.38

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
SCHEMBL909871 0.84 GSK3B (0.48) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL910226 0.82 GSK3B (0.58) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL12904336 0.79 GSK3B (0.46) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL910170 0.79 GSK3B (0.50) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1832862 0.79 GSK3B (0.44) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1835974 0.79 PSEN1 (0.45) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1841387 0.78 GSK3B (0.58) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1839402 0.77 PRKDC (0.54) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1835853 0.77 GSK3B (0.39) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1840545 0.77 GSK3B (0.44) GSK3BCDC7PIM1HIPK2CLK4

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-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
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
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 GSK3B 67/4885CDC7 188/4885PIM1 360/4885
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 GSK3B 253/4885CDC7 232/4885PIM1 254/4885

“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.