Sugi Predict

Sugi Predict / Compounds / SCHEMBL2248074

SCHEMBL2248074

SCHEMBL2248074

CC(C)(C)OC(=O)N1CCC(Nc2ccncc2N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.56
▸ CCNA2 P20248 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GPR119 Q8TDV5 7/20 0.51
▸ CNR1 P21554 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ HASPIN Q8TF76 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ JAK1 P23458 1/20 0.45

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
SCHEMBL18741673 0.93 USP30 (0.51) DYRK1ACCNA2CDK2ALDH1A1NPC1
SCHEMBL18741675 0.93 USP30 (0.51) DYRK1ACCNA2CDK2ALDH1A1NPC1
SCHEMBL3593653 0.91 CCNA2 (0.55) DYRK1ACCNA2CDK2ALDH1A1NPC1
SCHEMBL13153986 0.89 DYRK1A (0.47) DYRK1ACCNA2CDK2ALDH1A1
SCHEMBL16657352 0.88 DYRK1A (0.44) DYRK1ACCNA2CDK2ALDH1A1GPR119
SCHEMBL19383614 0.87 DYRK1A (0.57) DYRK1ACCNA2CDK2ALDH1A1NPC1
SCHEMBL31437312 0.87 USP30 (0.47) DYRK1ACCNA2CDK2GPR119USP30
SCHEMBL16895329 0.87 USP30 (0.47) DYRK1ACCNA2CDK2GPR119USP30
SCHEMBL31501716 0.87 USP30 (0.47) DYRK1ACCNA2CDK2GPR119USP30
SCHEMBL31001690 0.87 USP30 (0.47) DYRK1ACCNA2CDK2GPR119USP30

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
CN-107922407-B Respiratory syncytial virus inhibitors 勃林格殷格翰国际有限公司 2020-09-25 — — CN disclosed
EP-3328859-B1 3-((4-ISOQUINOLIN-3-YL)METHYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) BOEHRINGER INGELHEIM INT (DE) 2020-06-03 — — EP disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 — — US disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 — — US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 — — EP disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 — — EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 — — US disclosed
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 — — US disclosed
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 — — US disclosed
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 — — US disclosed
US-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 — — US disclosed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 — — EP disclosed
WO-2010045276-A2 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2010-04-22 — — WO disclosed
WO-2010045276-A2 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2010-04-22 — — WO disclosed
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 — — EP disclosed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 — — WO disclosed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 — — 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-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES SSTR5, SSTR3, SSTR1 DYRK1A 880/4885CCNA2 2393/4885CDK2 904/4885
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B DYRK1A 4490/4885CCNA2 49/4885CDK2 192/4885
US-20110190336-A1 AZABENZIMIDAZOLONES PTGER1, PTGDR, PTGER2 DYRK1A 2218/4885CCNA2 535/4885CDK2 360/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A DYRK1A 4410/4885CCNA2 56/4885CDK2 215/4885

“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.