SCHEMBL909907

SCHEMBL909907

O=c1cc(N2CCOCC2)nc2c(OCc3cccnc3)cccn12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.64
PIK3CB P42338 10/20 0.57
PIK3CD O00329 9/20 0.57
AKT1 P31749 1/20 0.55
PRKDC P78527 6/20 0.54
P2RY12 Q9H244 1/20 0.49
PIK3CG P48736 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL13752238 0.89 PIK3CA (0.62) PIK3CAPIK3CBPIK3CDPRKDCMTOR
SCHEMBL13752191 0.89 PIK3CB (0.68) PIK3CAPIK3CBPIK3CDPRKDCMTOR
SCHEMBL13752190 0.85 PIK3CB (0.60) PIK3CAPIK3CBPIK3CDPRKDCMTOR
SCHEMBL13752194 0.84 PIK3CB (0.66) PIK3CAPIK3CBPIK3CDPRKDCPIK3CG
SCHEMBL13752221 0.82 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPRKDCMTOR
SCHEMBL13989472 0.82 PIK3CB (0.56) PIK3CAPIK3CBPIK3CDPRKDCMTOR
SCHEMBL4413947 0.81 PRKDC (0.55) PIK3CAPIK3CBPIK3CDAKT1PRKDC
SCHEMBL13752237 0.80 PIK3CB (0.69) PIK3CAPIK3CBPIK3CDPRKDCPIK3CG
SCHEMBL13752195 0.75 PIK3CD (0.69) PIK3CAPIK3CBPIK3CDPRKDCMTOR
SCHEMBL909905 0.75 HTR6 (0.38) PIK3CAAKT1PRKDC

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4646626-B2 2011-03-09 JP claimed
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 claimed
JP-2006500361-A 2006-01-05 JP claimed
EP-1537102-A1 INHIBITION OF PHSPHOINOSTIDE 3-DINASE BETA Kinacia Pty Ltd. (AU) 2005-06-08 EP claimed
WO-2004016607-A1 INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD. (AU) 2004-02-26 WO claimed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
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-7572791-B2 Therapeutic morpholino-substituted compounds ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-7572791-B2 Therapeutic morpholino-substituted compounds ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-12-18 US disclosed
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-12-18 US disclosed
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-08-28 US disclosed
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-08-28 US disclosed
US-7405211-B2 Using 2-morpholinyl-4H-pyrido(1,2-a)pyrimidin-4-one; enzyme inhibitors; antithrombotic agents ; restenosis; atherosclerosis; antihistamines; chronic obsessive pulminary disease; autoimmune diseases; anticancer agents; antiinflammatory agents ASTRAZENECA AB (SE) 2008-07-29 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 (4 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-20080206312-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PIK3CA 1/4885PIK3CB 14/4885PIK3CD 13/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PIK3CA 1/4885PIK3CB 14/4885PIK3CD 13/4885
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 PIK3CA 16/4885PIK3CB 8/4885PIK3CD 15/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CA 31/4885PIK3CB 156/4885PIK3CD 194/4885

“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.