Sugi Predict

Sugi Predict / Compounds / SCHEMBL965009

SCHEMBL965009

SCHEMBL965009

O=C1C(Br)CCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CYP17A1 P05093 1/20 0.47
▸ NOTUM Q6P988 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ DRD2 P14416 3/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46

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
SCHEMBL8563716 1.00 CA12 (0.54) CA12CA1CA2CA9CYP17A1
SCHEMBL7610183 0.84 CA12 (0.55) CA12CA1CA2CA9CYP17A1
SCHEMBL7611284 0.84 CA12 (0.55) CA12CA1CA2CA9CYP17A1
SCHEMBL7607804 0.84 CA12 (0.55) CA12CA1CA2CA9CYP17A1
SCHEMBL8788725 0.83 CA12 (0.57) CA12CA1CA2CA9CYP17A1
SCHEMBL8560582 0.81 FADS1 (0.45) MEN1KMT2ADRD2DRD3ALOX5
SCHEMBL8560581 0.81 FADS1 (0.45) MEN1KMT2ADRD2DRD3ALOX5
SCHEMBL8788607 0.81 DRD2 (0.50) NOTUMDRD2DRD3
SCHEMBL25231991 0.80 CA12 (0.51) CA12CA1CA2CA9CYP17A1
SCHEMBL14528089 0.80 CA12 (0.65) CA12CA1CA2CA9CYP17A1

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 27 patents — showing the first 20. 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
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
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — US disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 — — WO disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 — — EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 — — WO disclosed
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 — — CN disclosed
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 — — US disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 — — CN disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 — — EP disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 — — EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 — — WO disclosed
US-4138495-A N-Substituted pyrrolidones and their use as miticides STAUFFER CHEMICAL COMPANY (US) 1979-02-06 — — 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 (5 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 CA12 4751/4885CA1 2694/4885CA2 3702/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CA12 4862/4885CA1 3740/4885CA2 4212/4885
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR CA12 4393/4885CA1 4267/4885CA2 3102/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR CA12 4393/4885CA1 4267/4885CA2 3102/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 CA12 4751/4885CA1 2694/4885CA2 3702/4885

“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.