SCHEMBL910135

SCHEMBL910135

CCc1ccccc1Nc1cccn2c(=O)cc(-c3ccncc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
GSK3B P49841 10/20 0.43
CDC7 O00311 3/20 0.43
PIM1 P11309 3/20 0.43
HIPK2 Q9H2X6 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
ROCK2 O75116 2/20 0.43
MAP4K4 O95819 2/20 0.43
PRKACA P17612 2/20 0.43
RAB9A P51151 1/20 0.42
PTGS1 P23219 2/20 0.40
CDK2 P24941 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
BUB1 O43683 1/20 0.39
POLB P06746 1/20 0.39
PTGS2 P35354 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
SCHEMBL910170 0.79 GSK3B (0.50) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL1835974 0.78 PSEN1 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL909871 0.76 GSK3B (0.48) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL910134 0.76 GSK3B (0.61) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1832862 0.76 GSK3B (0.44) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL1834117 0.76 LMNA (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL1841387 0.75 GSK3B (0.58) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL910196 0.75 GSK3B (0.46) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL910226 0.74 GSK3B (0.58) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1840545 0.74 GSK3B (0.44) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B

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 4 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

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 PIK3CD 8/4885PIK3CA 11/4885PIK3CB 4/4885
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 PIK3CD 15/4885PIK3CA 16/4885PIK3CB 8/4885

“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.