SCHEMBL825960

SCHEMBL825960

NN(C(=O)Cc1ccc(F)cc1)C(=O)c1nc2ccccn2c(=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
KCNK3 O14649 5/20 0.38
KCNK9 Q9NPC2 5/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
METTL3 Q86U44 1/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1011897 0.79 KDM4E (0.44) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL1876737 0.77 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL1684145 0.72 PTGS1 (0.53) PTGS1PTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL12638575 0.70 KMT2A (0.53) PTGS1PTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL825951 0.67 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL846337 0.67 TP53 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL823323 0.67 ALDH1A1 (0.66) PTGS1PTGS2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL754438 0.66 ALDH1A1 (0.43) ALDH1A1RAB9APOLBKDM4ELMNA
SCHEMBL825685 0.65 NR1I3 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL20797951 0.65 ADCY10 (0.46) PTGS1PTGS2ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD PTGS1 846/4885PTGS2 1926/4885ALDH1A1 337/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD PTGS1 846/4885PTGS2 1926/4885ALDH1A1 337/4885

“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.