Sugi Predict

Sugi Predict / Compounds / SCHEMBL2801119

SCHEMBL2801119

SCHEMBL2801119

CC(C)(C)OC(=O)CC(N)CN

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PTPRC P08575 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ NOS1 P29475 2/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL31301962 0.89 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL852986 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL852985 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL310391 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL6163149 0.82 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7824510 0.82 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15630773 0.82 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2331892 0.80 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28652468 0.80 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30523873 0.80 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024221952-A1 NANO-DELIVERY SYSTEM OF NUCLEOTIDE DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院苏州纳米技术与纳米仿生研究所 2024-10-31 — — WO claimed
WO-2024221952-A1 NANO-DELIVERY SYSTEM OF NUCLEOTIDE DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院苏州纳米技术与纳米仿生研究所 2024-10-31 — — WO disclosed
WO-2024149331-A1 AMINO LIPID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳深信生物科技有限公司 2024-07-18 — — WO disclosed
CN-118084923-A Cyclic compounds as LRRK2 kinase inhibitors and methods of making the same 中国科学院上海有机化学研究所 2024-05-28 — — CN disclosed
CN-117603212-A DCLK1 fluorescent probe and application thereof 中国人民解放军海军军医大学 2024-02-27 — — CN disclosed
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 — — US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 — — US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 — — US disclosed
US-8571659-B2 Implantable medical device with chemical sensor and related methods CARDIAC PACEMAKERS, INC. (US) 2013-10-29 — — US disclosed
US-20120197231-A1 IMPLANTABLE MEDICAL DEVICE WITH CHEMICAL SENSOR AND RELATED METHODS CARDIAC PACEMAKERS, INC (US) 2012-08-02 — — US disclosed
US-7809441-B2 Implantable medical device with chemical sensor and related methods CARDIAC PACEMAKERS, INC. (US) 2010-10-05 — — US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 — — US disclosed
US-20070270674-A1 Implantable Medical Device with Chemical Sensor and Related Methods CARDIAC PACEMAKERS, INC. 2007-11-22 — — US disclosed
US-20070270675-A1 Implantable Medical Device with Chemical Sensor and Related Methods CARDIAC PACEMAKERS, INC. 2007-11-22 — — US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 — — EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 — — US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 — — WO disclosed
EP-1147076-B1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES OKANO TERUO PROF (JP) 2004-03-31 — — EP disclosed
US-6495645-B1 INCORPORATING MANY SIDE FUNCTIONAL GROUPS WHILE MAINTAINING SENSITIVE TEMPERATURE RESPONSE Okano, Terou (JP) 2002-12-17 — — US disclosed
WO-2000002864-A1 PRECUSORS FOR PNA-MONOMERS MARTENS JUERGEN (DE) 2000-01-20 — — 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 (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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CYP2D6 3575/4885HDAC3 1587/4885HDAC1 738/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CYP2D6 3575/4885HDAC3 1587/4885HDAC1 738/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CYP2D6 3575/4885HDAC3 1587/4885HDAC1 738/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 CYP2D6 4499/4885HDAC3 3018/4885HDAC1 1731/4885

“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.