SCHEMBL9889656

SCHEMBL9889656

Cc1cc(Oc2ccc(CCSc3nc(=O)c(Cc4ccc(C#N)cc4)c[nH]3)cc2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HTR2A P28223 3/20 0.34
KCNH2 Q12809 3/20 0.34
SLC6A4 P31645 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
P2RX3 P56373 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
SCHEMBL9889599 0.91 MEN1 (0.40) PGRGRIN1GRIN2BHTR2AKCNH2
SCHEMBL9103222 0.88 PLA2G7 (0.44) GPR84
SCHEMBL9889657 0.86 PLA2G7 (0.43) HTR2AKCNH2SLC6A4GPR84
SCHEMBL9889650 0.84 PLA2G7 (0.39) SMN1; SMN2LMNAHTT
SCHEMBL9889654 0.83 PLA2G7 (0.37) CYP3A4MEN1KMT2A
SCHEMBL9889660 0.81 SLC22A12 (0.37) HTR2AKCNH2SLC6A4
SCHEMBL9889661 0.79 SLC22A12 (0.39) HTR2AKCNH2SLC6A4
SCHEMBL9101810 0.79 PLA2G7 (0.41) SMN1; SMN2HPGDMEN1KMT2ADAO
SCHEMBL9889659 0.79 SLC22A12 (0.35) HTR2AKCNH2SLC6A4
SCHEMBL15275185 0.77 PLA2G7 (0.41) LMNA

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 PGR 2752/4885GRIN1 3497/4885GRIN2B 3246/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PGR 1221/4885GRIN1 2210/4885GRIN2B 2219/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PGR 1150/4885GRIN1 2143/4885GRIN2B 2134/4885

“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.