SCHEMBL9107066

SCHEMBL9107066

COc1ncc(Cc2c[nH]c(NCCc3ccc(Oc4ncc(C(F)(F)F)cn4)c(C#N)c3)nc2=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CSF1R P07333 1/20 0.34
IDH1 O75874 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 2/20 0.32
SCN9A Q15858 5/20 0.32
PLA2G7 Q13093 1/20 0.32
RAF1 P04049 3/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
ESRRA P11474 1/20 0.31

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
SCHEMBL9892569 0.93 CNR2 (0.37) CNR2NPC1RAB9ACSF1RIDH1
SCHEMBL15428897 0.88 NPC1 (0.37) CNR2NPC1RAB9ACSF1RIDH1
SCHEMBL9106587 0.85 PLAAT3 (0.33) CNR2CSF1RCYP2D6SCN9ARAF1
SCHEMBL9106957 0.83 PLA2G7 (0.34) CNR2MAPTSCN9APLA2G7RAF1
SCHEMBL9103452 0.79 PLA2G7 (0.44) PLA2G7
SCHEMBL9107940 0.79 PLAAT3 (0.42) CSF1RMAPTSCN9ALMNA
SCHEMBL9108510 0.79 CSF1R (0.37) CNR2CSF1RMAPTSCN9AALDH1A1
SCHEMBL9889709 0.78 CYP2C9 (0.35) CNR2NPC1RAB9AMAPTCYP2D6
SCHEMBL9106247 0.76 CYP1A2 (0.34) SCN9APLA2G7ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9889716 0.76 SLC22A12 (0.40) PLA2G7

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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 CNR2 927/4885NPC1 516/4885RAB9A 1803/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CNR2 1080/4885NPC1 1408/4885RAB9A 2247/4885

“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.