SCHEMBL4809435

SCHEMBL4809435

O=c1cc(N2CCOCC2)[nH]c2c(-c3ccccc3)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.67
PIK3CG P48736 6/20 0.66
PRKDC P78527 4/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PIK3CD O00329 2/20 0.58
PIK3CB P42338 2/20 0.58
PDE2A O00408 1/20 0.58
PIK3C2A O00443 1/20 0.58
PIK3R2 O00459 1/20 0.58
PIK3C2B O00750 1/20 0.58
BRD4 O60885 1/20 0.58
PDE5A O76074 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
PIM1 P11309 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL910114 0.88 PIK3CA (0.57) PIK3CAPIK3CGPRKDCKDM4EALDH1A1
SCHEMBL14392053 0.87 PRKDC (0.55) PIK3CAPIK3CGPRKDCALDH1A1BRD4
SCHEMBL909904 0.85 PIK3CG (0.71) PIK3CAPIK3CGPRKDCKDM4EALDH1A1
SCHEMBL27614335 0.85 PIK3CG (0.61) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL4809385 0.82 PRKDC (0.64) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL4105698 0.81 PIK3CA (0.63) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL9284616 0.81 PIK3CG (0.63) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL13437617 0.81 PIK3CG (0.63) PIK3CAPIK3CGPRKDCKDM4EPIK3CD
SCHEMBL3549520 0.81 PIK3CG (0.63) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL4808710 0.81 PIK3CG (0.64) PIK3CAPIK3CGPRKDCKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-12-18 US claimed
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 claimed
US-20050085471-A1 Therapeutic morpholino-substituted compounds KINACIA PTY LTD. 2005-04-21 US claimed
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
EP-1257537-B1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS ASTRAZENECA AB (SE) 2007-05-30 EP 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 (3 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-20050085471-A1 Therapeutic morpholino-substituted compounds PIK3CA, PTK2, PDPK1 PIK3CA 1/4885PIK3CG 17/4885PRKDC 1024/4885
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PIK3CA 1/4885PIK3CG 17/4885PRKDC 1026/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PIK3CA 1/4885PIK3CG 17/4885PRKDC 1026/4885

“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.