SCHEMBL9889702

SCHEMBL9889702

Cc1ncc(Cc2c[nH]c(NCCc3ccc(Oc4ccc(Cl)c(C)c4)cc3)nc2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.36
CYP3A4 P08684 4/20 0.35
MAPT P10636 3/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PPARG P37231 2/20 0.31
PTGDR Q13258 1/20 0.31
CYP2C9 P11712 2/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PPARA Q07869 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
SCHEMBL9889713 0.93 LMNA (0.35) PLA2G7CYP3A4MAPTHTR2ASLC6A4
SCHEMBL9889719 0.92 CYP3A4 (0.35) PLA2G7CYP3A4MAPTALPLALPI
SCHEMBL9889717 0.92 GAA (0.36) PLA2G7CYP3A4P2RX3
SCHEMBL15445218 0.91 CYP3A4 (0.34) PLA2G7CYP3A4MAPTALPLALPI
SCHEMBL9104815 0.89 PLA2G7 (0.49) PLA2G7HTR2AABL1MEN1KMT2A
SCHEMBL15275216 0.89 CYP3A4 (0.35) PLA2G7CYP3A4HTR2ASLC6A4KCNH2
SCHEMBL9889721 0.88 CYP3A4 (0.34) PLA2G7CYP3A4HTR2ASLC6A4KCNH2
SCHEMBL9107436 0.88 PLA2G7 (0.42) PLA2G7CYP3A4USP2CYP1A2CYP2D6
SCHEMBL9889716 0.87 SLC22A12 (0.40) PLA2G7HTR2ASLC6A4KCNH2
SCHEMBL15275217 0.87 P2RX3 (0.37) CYP3A4HTR2ASLC6A4KCNH2ABL1

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 6/4885CYP3A4 4134/4885MAPT 1327/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLA2G7 4/4885CYP3A4 3883/4885MAPT 2359/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLA2G7 4/4885CYP3A4 3952/4885MAPT 2546/4885

“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.