SCHEMBL4413873

SCHEMBL4413873

CC(C)(C)c1ccc(COc2ccn3c(=O)cc(C4CNCCO4)nc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.37
MCHR1 Q99705 3/20 0.37
MAOB P27338 1/20 0.36
KDR P35968 1/20 0.35
MAPT P10636 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35

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
SCHEMBL4414010 0.88 MCHR1 (0.42) MCHR1MAOB
SCHEMBL4413879 0.88 MCHR1 (0.47) MCHR1MAOB
SCHEMBL4805419 0.87 MCHR1 (0.39) PRKDCMCHR1KDR
SCHEMBL4800792 0.87 MCHR1 (0.37) MCHR1KDR
SCHEMBL4422985 0.83 ADORA3 (0.42) PRKDCMCHR1MAOBKDRMAPT
SCHEMBL4417228 0.82 GRM5 (0.46) MCHR1MAOB
SCHEMBL4413939 0.82 PRKDC (0.40) PRKDCMCHR1KDR
SCHEMBL4415583 0.81 MCHR1 (0.43) PRKDCMCHR1KDRMAPT
SCHEMBL4551641 0.80 MCHR1 (0.41) PRKDCMCHR1
SCHEMBL4413929 0.77 KCNH2 (0.36)

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-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
EP-1257537-B1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS ASTRAZENECA AB (SE) 2007-05-30 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
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-20050085471-A1 Therapeutic morpholino-substituted compounds PIK3CA, PTK2, PDPK1 PRKDC 1024/4885MCHR1 4703/4885MAOB 3525/4885
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PRKDC 1026/4885MCHR1 4701/4885MAOB 3490/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 PRKDC 1026/4885MCHR1 4701/4885MAOB 3490/4885

“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.