SCHEMBL823504

SCHEMBL823504

Nc1ncc(N2CCOCC2)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
FYN P06241 2/20 0.43
MTOR P42345 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3R1 P27986 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LGMN Q99538 1/20 0.42
POLB P06746 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
ADK P55263 1/20 0.40
MAPT P10636 3/20 0.40
ATR Q13535 2/20 0.39
MAPK1 P28482 1/20 0.39
LRRK2 Q5S007 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL12991818 0.83 LGMN (0.49) DHFRFYNMTORPIK3CAPIK3R1
SCHEMBL359690 0.81 LGMN (0.56) DHFRFYNMTORPIK3CAPIK3R1
SCHEMBL16680612 0.80 DHFR (0.45) DHFRFYNMTORPIK3CAPIK3R1
SCHEMBL27214416 0.80 PIK3CA (0.59) DHFRFYNMTORPIK3CAPIK3R1
SCHEMBL2711385 0.75 LGMN (0.47) DHFRMTORPIK3CAPIK3R1GAA
SCHEMBL2949706 0.74 PIK3CA (0.57) DHFRMTORPIK3CAPIK3R1GAA
SCHEMBL12991793 0.74 POLB (0.56) KDM4EPOLBMAPTMAPK1SMN1; SMN2
SCHEMBL360727 0.74 POLB (0.56) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2710920 0.73 LGMN (0.46) DHFRMTORPIK3CAPIK3R1GAA
SCHEMBL2712170 0.73 LGMN (0.46) DHFRPIK3CAGAAKDM4ELGMN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 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 (4 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD DHFR 21/4885FYN 989/4885MTOR 1271/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD DHFR 21/4885FYN 989/4885MTOR 1271/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD DHFR 21/4885FYN 989/4885MTOR 1271/4885
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 DHFR 4115/4885FYN 350/4885MTOR 173/4885

“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.