SCHEMBL9901043

SCHEMBL9901043

Cc1cnc(Cl)nc1OCCc1ccc(Oc2ccc(F)c(F)c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
AXL P30530 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAP4K4 O95819 1/20 0.35
PIN1 Q13526 3/20 0.34
CASP6 P55212 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
MCL1 Q07820 1/20 0.31
BAK1 Q16611 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
SCHEMBL9923517 0.88 EGLN1 (0.37) KDM4EPOLBAXLPPARGPPARA
SCHEMBL9904769 0.81 EGLN1 (0.36) KDM4EPOLBPPARGPPARAMAP4K4
SCHEMBL9904664 0.80 PLA2G7 (0.38) KDM4EPOLBPIN1CASP6ALDH1A1
SCHEMBL15262340 0.77 PLA2G7 (0.45) POLBCASP6
SCHEMBL9900548 0.77 MAOA (0.39) POLBAXLPIN1CASP6ALDH1A1
SCHEMBL14667691 0.76 RAB9A (0.46) KDM4EPOLBMAP4K4EGLN1ALDH1A1
SCHEMBL9901634 0.75 POLB (0.41) KDM4EPOLBPPARGPPARAPIN1
SCHEMBL9904955 0.74 P2RX7 (0.39) EGLN1
SCHEMBL9905827 0.74 GRIN2B (0.37) AXLEGLN1GRIN1GRIN2BP2RX3
SCHEMBL15280356 0.74 PLA2G7 (0.37) KDM4EPOLBAXLPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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 (1 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B KDM4E 3937/4885POLB 2258/4885AXL 4424/4885

“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.