SCHEMBL17324007

SCHEMBL17324007

Cc1coc2cc(C(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KIF11 P52732 6/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KCNA3 P22001 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35

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
SCHEMBL4446704 0.85 KIF11 (0.42) MAPTTP53SMN1; SMN2KIF11EPHX2
SCHEMBL26144298 0.83 ALDH1A1 (0.40) CA1CA2CA5ACA9MAPT
SCHEMBL14018182 0.75 FFAR1 (0.45) MAPTKIF11KDM4EALDH1A1PPARD
SCHEMBL171862 0.75 CYP11B1 (0.42) TP53SMN1; SMN2KCNA3KDM4EALDH1A1
SCHEMBL5986723 0.74 MAPT (0.51) MAPTSMN1; SMN2KCNA3KDM4EALDH1A1
SCHEMBL22501677 0.74 CA9 (0.69) CA1CA2CA5ACA9MAPT
SCHEMBL27697038 0.74 PTPN1 (0.43) MAPTTP53SMN1; SMN2EPHX2PIM1
SCHEMBL26103897 0.73 PIM1 (0.42) MAPTTP53SMN1; SMN2KIF11KDM4E
SCHEMBL26103434 0.73 PIM1 (0.45) MAPTTP53SMN1; SMN2KIF11EPHX2
SCHEMBL2926489 0.72 KDM4E (0.54) CA9MAPTTP53SMN1; SMN2KIF11

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 3 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 CA1 2694/4885CA2 3702/4885CA5A 2506/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CA1 3740/4885CA2 4212/4885CA5A 3847/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 CA1 2694/4885CA2 3702/4885CA5A 2506/4885

“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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