SCHEMBL4422989

SCHEMBL4422989

COc1cccc(COc2ccn3c(=O)cc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.58
PIK3CD O00329 10/20 0.58
PIK3CA P42336 9/20 0.58
PRKDC P78527 3/20 0.53
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
PIK3CG P48736 1/20 0.48
MTOR P42345 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 1/20 0.44
DPP4 P27487 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL4413883 0.88 PRKDC (0.61) PIK3CBPIK3CDPIK3CAPRKDCPIK3CG
SCHEMBL4417237 0.88 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPRKDCMAPK1
SCHEMBL4413947 0.84 PRKDC (0.55) PIK3CBPIK3CDPIK3CAPRKDCPIK3CG
SCHEMBL4805433 0.83 PRKDC (0.54) PIK3CBPIK3CDPIK3CAPRKDCPIK3CG
SCHEMBL13752194 0.83 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPRKDCALDH1A1
SCHEMBL4414014 0.82 PRKDC (0.53) PIK3CBPIK3CDPIK3CAPRKDCPIK3CG
SCHEMBL4413880 0.82 PRKDC (0.52) PIK3CBPIK3CDPIK3CAPRKDCMAPK1
SCHEMBL4415588 0.81 PRKDC (0.58) PIK3CBPIK3CDPIK3CAPRKDCMTOR
SCHEMBL4551643 0.79 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPRKDCPIK3CG
SCHEMBL4413932 0.78 PRKDC (0.66) PIK3CBPIK3CDPIK3CAPRKDCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-1857443-A2 Therapeutic morpholino-substituted compounds AstraZeneca AB (SE) 2007-11-21 EP disclosed
US-6977255-B2 Therapeutic morpholino-substituted compounds KINACIA PTY. LTD. (AU) 2005-12-20 US disclosed
US-20050085471-A1 Therapeutic morpholino-substituted compounds KINACIA PTY LTD. 2005-04-21 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 (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 PIK3CB 14/4885PIK3CD 13/4885PIK3CA 1/4885
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PIK3CB 14/4885PIK3CD 13/4885PIK3CA 1/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PIK3CB 14/4885PIK3CD 13/4885PIK3CA 1/4885

“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.