SCHEMBL7882829

SCHEMBL7882829

FC(F)(F)c1cc(I)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.34
NOTUM Q6P988 1/20 0.33
CACNA1H O95180 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
PDGFRA P16234 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31
RPS6KA3 P51812 1/20 0.31
LIMK1 P53667 1/20 0.31
TYRO3 Q06418 1/20 0.31
MAPK14 Q16539 1/20 0.31
LRRK2 Q5S007 1/20 0.31
AURKB Q96GD4 1/20 0.31
ACP1 P24666 1/20 0.30

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
SCHEMBL1042998 0.84 CES2 (0.40) CES2NOTUMCACNA1HCACNA1BCACNA1C
SCHEMBL30055354 0.78 ALDH1A1 (0.38) CES2NOTUMCACNA1HCACNA1BCACNA1C
SCHEMBL18244786 0.78 ALDH1A1 (0.38) CES2NOTUMCACNA1HCACNA1BCACNA1C
SCHEMBL5667400 0.77 CES2 (0.36) CES2NOTUMCACNA1HCACNA1BCACNA1C
SCHEMBL10242061 0.76 NOTUM (0.38) CES2NOTUMCACNA1HCACNA1BCACNA1C
SCHEMBL7882956 0.76 CES2 (0.35) CES2NOTUMCACNA1HCACNA1BCACNA1C
SCHEMBL23301654 0.74 ALDH1A1 (0.35) CES2CACNA1HCACNA1BCACNA1C
SCHEMBL330815 0.74 ALDH1A1 (0.43) CES2NOTUMCACNA1H
SCHEMBL31405106 0.74 CES2 (0.38) CES2NOTUMACP1
SCHEMBL29314372 0.74 CES2 (0.38) CES2NOTUMCACNA1HCACNA1BCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-08 US disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
EP-2945944-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-11-25 EP disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 WO disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 CES2 2611/4885NOTUM 1603/4885CACNA1H 526/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CES2 2744/4885NOTUM 1985/4885CACNA1H 604/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 CES2 2611/4885NOTUM 1603/4885CACNA1H 526/4885
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CES2 2744/4885NOTUM 1985/4885CACNA1H 604/4885

“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.