SCHEMBL12166168

SCHEMBL12166168

COC(=O)c1nc2ncc(N3CCOCC3)cn2c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTK2 Q05397 2/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
MTOR P42345 1/20 0.36
APAF1 O14727 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
SCHEMBL823327 0.82 MAPT (0.48) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL10069928 0.80 MAPT (0.44) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL823499 0.79 MAPT (0.43) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL367951 0.76 MAPT (0.41) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL823322 0.76 MAPT (0.49) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL10070061 0.75 MAPT (0.40) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL369064 0.73 MAPT (0.38) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL10070432 0.72 KMT2A (0.38) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL823307 0.72 ALDH1A1 (0.45) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL823325 0.70 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD MAPT 3050/4885RAB9A 2559/4885SMN1; SMN2 1064/4885

“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.