Sugi Predict

Sugi Predict / Compounds / SCHEMBL1779986

SCHEMBL1779986

SCHEMBL1779986

CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GPR119 Q8TDV5 4/20 0.47
▸ CNR1 P21554 3/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ NSD2 O96028 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ JAK1 P23458 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ STS P08842 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL18001840 0.94 HSD11B1 (0.46) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL15974579 0.90 PIN1 (0.41) ALDH1A1MAPTGPR119LMNABTK
SCHEMBL12067314 0.89 HSD11B1 (0.41) ALDH1A1MAPTCNR1CNR2LMNA
SCHEMBL17388663 0.89 HSD11B1 (0.41) ALDH1A1MAPTCNR1CNR2LMNA
SCHEMBL19665606 0.86 GPR119 (0.46) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4697043 0.85 BCDIN3D (0.48) GPR119CDK2
SCHEMBL29802912 0.85 BCDIN3D (0.48) GPR119CDK2
SCHEMBL17196934 0.85 CNR1 (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1693754 0.85 MAPT (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL19665769 0.85 GPR119 (0.45) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940437-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2024-04-26 — — CN disclosed
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 — — EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 — — US disclosed
CN-109563095-B Animal and human antimalarial agents 细胞基因公司 2021-10-29 — — CN disclosed
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2020-10-22 — — US disclosed
US-10736899-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2020-08-11 — — US disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 — — US disclosed
EP-3464287-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS Celgene Corporation (US) 2019-04-10 — — EP disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 — — US disclosed
US-10016436-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2018-07-10 — — US disclosed
WO-2017210399-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION (US) 2017-12-07 — — WO disclosed
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION 2017-12-07 — — US disclosed
US-9708326-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-07-18 — — US disclosed
US-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, LLC. (US) 2016-01-07 — — US disclosed
WO-2014130693-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-08-28 — — WO disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 — — US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 — — EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 — — WO 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 (9 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-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPT 242/4885NPC1 1301/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS ALDH1A1 968/4885MAPT 262/4885NPC1 1315/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ALDH1A1 2972/4885MAPT 663/4885NPC1 2415/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP ALDH1A1 1270/4885MAPT 250/4885NPC1 1351/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPT 242/4885NPC1 1301/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS ALDH1A1 968/4885MAPT 262/4885NPC1 1315/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPT 242/4885NPC1 1301/4885
US-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ALDH1A1 4632/4885MAPT 4137/4885NPC1 4476/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPT 242/4885NPC1 1301/4885

“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.