SCHEMBL876578

SCHEMBL876578

O=Cc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
CASP6 P55212 1/20 0.46
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
CYP2A6 P11509 1/20 0.40
DRD1 P21728 1/20 0.38
ALDH1A3 P47895 1/20 0.37
STS P08842 1/20 0.36
MAPT P10636 3/20 0.35
KIF11 P52732 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9107953 0.83 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL9107191 0.82 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL876362 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL1713491 0.77 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL184377 0.77 PARP10 (0.50) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL9103318 0.76 ALDH1A1 (0.37) ALDH1A1L3MBTL1POLBCASP6KIF11
SCHEMBL365790 0.76 POLB (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL347307 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1POLBKIF11
SCHEMBL1663469 0.75 PARP10 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL5050902 0.75 PARP10 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1

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 25 patents — showing the first 20. 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
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-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-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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 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
US-20120232101-A1 Novel Compounds CHAPMAN DAVID (SE) 2012-09-13 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
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
US-8183251-B2 1-[(4S)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-{[4-(pyrimidin-5-yloxy)phenyl]methyl}methanesulfonamide; matrix metalloproteinase inhibitors; obstructive airways disease is asthma or chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2012-05-22 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
EP-2097406-B1 HYDANTOIN DERIVATIVES USED AS MMP INHIBITORS ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
EP-2097406-A1 HYDANTOIN DERIVATIVES USED AS MMP INHIBITORS Astra Zeneca AB (SE) 2009-09-09 EP disclosed
US-20080221139-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-11 US disclosed
WO-2008065393-A1 HYDANTOIN DERIVATIVES USED AS MMP INHIBITORS ASTRAZENECA AB (SE) 2008-06-05 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 (6 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 ALDH1A1 3079/4885KDM4E 3871/4885SMN1; SMN2 3782/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 ALDH1A1 3079/4885KDM4E 3871/4885SMN1; SMN2 3782/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885KDM4E 4272/4885SMN1; SMN2 4240/4885
US-20080221139-A1 Novel Compounds MMP9, MMP2, MMP1 ALDH1A1 282/4885KDM4E 1320/4885SMN1; SMN2 1975/4885
US-20120232101-A1 Novel Compounds MMP9, MMP2, MMP1 ALDH1A1 282/4885KDM4E 1320/4885SMN1; SMN2 1975/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 2042/4885KDM4E 3085/4885SMN1; SMN2 2782/4885

“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.