SCHEMBL3729545

SCHEMBL3729545

O=c1cc(N2CCOCC2)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.61
CDC25B P30305 1/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
PIK3CG P48736 6/20 0.58
PIK3CA P42336 8/20 0.54
PRKDC P78527 2/20 0.51
ACE P12821 1/20 0.51
ECE1 P42892 1/20 0.51
PIK3CB P42338 3/20 0.51
PIK3CD O00329 2/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 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
SCHEMBL22186994 0.81 PIK3CG (0.55) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL31061504 0.79 PIK3CG (0.62) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL9704853 0.78 APAF1 (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL13437617 0.77 PIK3CG (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3549520 0.77 PIK3CG (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL9284616 0.77 PIK3CG (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL4809435 0.77 PIK3CA (0.67) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL19051444 0.76 APAF1 (1.00) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL17473667 0.76 PIK3CA (0.68) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL4808710 0.75 PIK3CG (0.64) APAF1CDC25BCASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020136693-A1 SUBSTITUTED QUINOLONE COMPOUNDS, THEIR USE IN THE TREATMENT OF CANCER, AND A METHOD FOR PREPARATION UNIVERSITY OF PETRA (JO) 2020-07-02 WO disclosed
EP-2231152-B1 THIENOPYRANONES AS KINASE INHIBITORS SIGNALRX PHARMACEUTICALS INC (US) 2014-01-01 EP disclosed
US-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION THE UNITED STATE OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPT OF HEALTH AND HUMAN SERVICE (US) 2010-05-27 US disclosed
EP-2170338-A2 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2010-04-07 EP 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-7572791-B2 Therapeutic morpholino-substituted compounds ASTRAZENECA AB (SE) 2009-08-11 US disclosed
WO-2009008991-A2 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES NATIONAL INSTITUTES OF HEALTH (US) 2009-01-15 WO 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
EP-1257537-B1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS ASTRAZENECA AB (SE) 2007-05-30 EP disclosed
CN-1891693-A Therapeutic morpholino-substituted compounds KINACIA PTY LTD (AU) 2007-01-10 CN disclosed
CN-1891699-A Therapeutic morpholino-substituted compounds KINACIA PTY LTD (AU) 2007-01-10 CN disclosed
CN-1263743-C Morpholino substituted compounds for treatment KIENACIA CO LTD (AU) 2006-07-12 CN 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
CN-1418195-A Morpholino substituted compounds for treatment KIENACIA CO LTD (AU) 2003-05-14 CN disclosed
EP-1257537-A4 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD (AU) 2003-04-23 EP disclosed
EP-1257537-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS Kinacia Pty Ltd (AU) 2002-11-20 EP disclosed
WO-2001053266-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD. (AU) 2001-07-26 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 (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-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION PRKAB1, PRKAG1, PRKAB2 APAF1 2339/4885CDC25B 3324/4885CASP3 4543/4885
US-20050085471-A1 Therapeutic morpholino-substituted compounds PIK3CA, PTK2, PDPK1 APAF1 1808/4885CDC25B 1059/4885CASP3 1514/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 APAF1 1833/4885CDC25B 1058/4885CASP3 1508/4885

“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.