SCHEMBL13752240

SCHEMBL13752240

O=c1cc(N2CCOCC2)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 1/20 0.57
P2RX4 Q99571 1/20 0.50
POLB P06746 2/20 0.49
CYP19A1 P11511 1/20 0.47
PIK3CG P48736 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
RAB9A P51151 2/20 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
SCHEMBL14392054 0.86 SMN1; SMN2 (0.59) PRKDCSMN1; SMN2MAPK1P2RX4CYP19A1
SCHEMBL5444182 0.73 PRKDC (1.00) PRKDCSMN1; SMN2P2RX4POLBCYP19A1
SCHEMBL9584516 0.73 POLB (0.51) PRKDCSMN1; SMN2P2RX4POLBCYP19A1
SCHEMBL8711799 0.71 CYP19A1 (0.48) PRKDCSMN1; SMN2POLBCYP19A1ALDH1A1
SCHEMBL27968937 0.71 SIGMAR1 (0.51) PRKDCSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL4805631 0.71 PIK3CG (0.58) PRKDCSMN1; SMN2PIK3CGALDH1A1MAPT
SCHEMBL8713847 0.70 PRKDC (0.48) PRKDCPOLBALDH1A1KDM4EPIK3CA
Propiolactone SCHEMBL28023955 0.70 CYP19A1 (0.68) PRKDCSMN1; SMN2MAPK1P2RX4CYP19A1
SCHEMBL9740521 0.70 SMN1; SMN2 (0.67) SMN1; SMN2MAPK1P2RX4CYP19A1ALDH1A1
SCHEMBL6902224 0.69 CCR2 (0.67) PRKDCPOLBALDH1A1MEN1KMT2A

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-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

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-20080206312-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PRKDC 1026/4885SMN1; SMN2 1402/4885MAPK1 273/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PRKDC 1026/4885SMN1; SMN2 1402/4885MAPK1 273/4885

“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.