SCHEMBL9889455

SCHEMBL9889455

Cc1cc(Oc2c(F)cc(CCOC(=N)N)cc2F)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
PLA2G7 Q13093 4/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL9889459 0.86 HTR2A (0.38) GPR84KMT2ASMN1; SMN2MCL1KDM4E
SCHEMBL9108123 0.84 PLA2G7 (0.46) GPR84PLA2G7
SCHEMBL9108158 0.84 KMT2A (0.40) GPR84KMT2ASMN1; SMN2MCL1KDM4E
SCHEMBL9889454 0.81 MCL1 (0.41) GPR84KMT2ASMN1; SMN2MCL1KDM4E
SCHEMBL9889539 0.79 ST14 (0.34) PPARG
SCHEMBL19767021 0.79 THRB (0.44) GPR84KMT2ASMN1; SMN2MCL1KDM4E
Trifluoromethanesulfonic Acid SCHEMBL9103515 0.78 SCN9A (0.43) GPR84PLA2G7
SCHEMBL9889536 0.77 GRM2 (0.33)
SCHEMBL9106011 0.75 CHEK2 (0.40) KMT2ASMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL9108061 0.75 FFAR4 (0.38) KMT2AMRGPRX4PPARG

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 GPR84 742/4885KMT2A 4245/4885SMN1; SMN2 3782/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B GPR84 446/4885KMT2A 3072/4885SMN1; SMN2 2828/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B GPR84 403/4885KMT2A 3147/4885SMN1; 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.