SCHEMBL9889587

SCHEMBL9889587

Cc1cc(Oc2ccc(CN(C)c3nc(=O)c(Cc4cncnc4)c[nH]3)cc2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.40
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FABP4 P15090 1/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
PKM P14618 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL9889589 0.89 NPC1 (0.36) PLA2G7NPC1RAB9ATP53KDM4E
SCHEMBL9892543 0.89 PLA2G7 (0.53) PLA2G7FABP4
SCHEMBL9889586 0.86 PLA2G7 (0.36) PLA2G7
Trifluoroacetic Acid SCHEMBL9107886 0.84 PLA2G7 (0.49) PLA2G7FABP4
SCHEMBL9889575 0.83 PLA2G7 (0.45) PLA2G7RAB9AHTR2ASLC6A4KCNH2
SCHEMBL9889585 0.81 PLA2G7 (0.41) PLA2G7FABP4HTR2ASLC6A4KCNH2
SCHEMBL15275185 0.81 PLA2G7 (0.41) PLA2G7
SCHEMBL15278096 0.81 PLA2G7 (0.43) PLA2G7
SCHEMBL9106304 0.80 PLA2G7 (0.56) PLA2G7
SCHEMBL9104009 0.80 PLA2G7 (0.56) PLA2G7HTR2ASLC6A4KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (3 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 PLA2G7 6/4885NPC1 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 PLA2G7 4/4885NPC1 1408/4885RAB9A 2247/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLA2G7 4/4885NPC1 1383/4885RAB9A 2211/4885

“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.