SCHEMBL9106300

SCHEMBL9106300

[CH2]Cc1ccc(Oc2ncccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
APAF1 O14727 1/20 0.57
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7030942 0.81 MEN1 (0.63) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL646461 0.80 MEN1 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL9106305 0.80 MEN1 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL645357 0.80 LTA4H (0.59) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL9102843 0.79 NPSR1 (0.45) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL15061289 0.79 PLAAT3 (0.48) MEN1KMT2AAPAF1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3540123 0.78 MEN1 (0.55) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL9109045 0.77 MEN1 (0.53) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL9106039 0.77 SMN1; SMN2 (0.42) LMNASMN1; SMN2MAPT
SCHEMBL28270607 0.76 KMT2A (0.52) MEN1KMT2AAPAF1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
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 (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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 MEN1 2728/4885KMT2A 4245/4885APAF1 318/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 MEN1 2728/4885KMT2A 4245/4885APAF1 318/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B MEN1 2146/4885KMT2A 3072/4885APAF1 558/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B MEN1 2195/4885KMT2A 3147/4885APAF1 552/4885

“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.