Sugi Predict

Sugi Predict / Compounds / SCHEMBL753771

SCHEMBL753771

SCHEMBL753771

CCOC(=O)c1cnc(N2CCOC(CN)C2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.58
▸ CHEK2 O96017 5/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.46
▸ AOC3 Q16853 1/20 0.45
▸ ACACB O00763 1/20 0.43
▸ OGA O60502 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL13304547 0.91 CHEK1 (0.48) CHEK1CHEK2HDAC6AOC3ACACB
SCHEMBL753727 0.86 CHEK1 (0.55) CHEK1CHEK2AOC3OGAPIK3CA
SCHEMBL13304515 0.81 CHEK1 (0.43) CHEK1CHEK2HDAC6AOC3ACACB
SCHEMBL763191 0.81 CHEK1 (0.43) CHEK1CHEK2HDAC6AOC3ACACB
SCHEMBL4580075 0.79 POLB (0.61) OGAPIK3CAKDM4EL3MBTL1ALOX15
SCHEMBL13538787 0.78 HDAC6 (0.47) HDAC6AOC3HDAC3HDAC4HDAC1
SCHEMBL1010906 0.77 ACACB (0.49) CHEK1CHEK2HDAC6ACACBOGA
SCHEMBL649475 0.77 OGA (0.47) HDAC6ACACBOGAPIK3CAKDM4E
SCHEMBL12193392 0.77 ACACB (0.47) AOC3ACACBOGAPIK3CAKDM4E
SCHEMBL13538789 0.77 P2RY12 (0.46) HDAC6ACACBKDM4EHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 — — US disclosed
US-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 — — US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 — — US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 — — US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 — — US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 — — US disclosed
US-7834011-B2 Heterocyclylalkyl derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 — — US disclosed
US-7834011-B2 Heterocyclylalkyl derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 — — US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 — — US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 — — US disclosed
US-20090023726-A1 Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase JANSSEN-CILAG (FR) 2009-01-22 — — US disclosed
US-20090023726-A1 Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase JANSSEN-CILAG (FR) 2009-01-22 — — 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-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC2, HDAC3 CHEK1 1813/4885CHEK2 725/4885HDAC6 10/4885
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 CHEK1 1813/4885CHEK2 725/4885HDAC6 10/4885
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 CHEK1 845/4885CHEK2 477/4885HDAC6 11/4885
US-20090023726-A1 Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 CHEK1 965/4885CHEK2 640/4885HDAC6 10/4885

“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.