SCHEMBL9105604

SCHEMBL9105604

N#CC=Cc1ccc(F)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.51
▸ MAOB P27338 5/20 0.42
▸ MAOA P21397 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ FDPS P14324 1/20 0.41
▸ NFE2L2 Q16236 3/20 0.35
▸ MTOR P42345 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ P4HB P07237 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
SCHEMBL9105595 1.00 VCP (0.51) VCPMAOBMAOANPC1RAB9A
SCHEMBL15282103 0.82 NFE2L2 (0.52) RAB9AKDM4EENPP2FDPSNFE2L2
SCHEMBL10331382 0.82 NFE2L2 (0.52) RAB9AKDM4EENPP2FDPSNFE2L2
SCHEMBL27590340 0.81 VCP (0.56) VCPMAOBMAOANPC1RAB9A
SCHEMBL18854463 0.79 KDM4E (0.47) NPC1RAB9AKDM4EENPP2FDPS
SCHEMBL18854461 0.79 KDM4E (0.47) NPC1RAB9AKDM4EENPP2FDPS
SCHEMBL27524881 0.79 KDM4E (0.43) VCPTDP1KDM4EENPP2FDPS
SCHEMBL17226683 0.78 KDM4E (0.42) VCPKDM4EENPP2FDPSNFE2L2
SCHEMBL38650704 0.76 VCP (0.58) VCPMAOBMAOANPC1RAB9A
SCHEMBL4716233 0.75 KDM4E (0.40) KDM4EENPP2FDPSNFE2L2P4HB

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
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 — — EP disclosed
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-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 — — 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
CN-103347864-A For treating diseases caused by Lp-PLA2Pyrimidone compounds for mediated diseases or conditions GLAXO GROUP LTD 2013-10-09 — — CN 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 VCP 1888/4885MAOB 991/4885MAOA 759/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 VCP 1888/4885MAOB 991/4885MAOA 759/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B VCP 2377/4885MAOB 840/4885MAOA 811/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B VCP 2271/4885MAOB 861/4885MAOA 835/4885

“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.

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